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|
|
|
.. (parent) |
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- |
rw-r--r-- |
4,036 |
%2818-Crown-6%29-di-iodo-thallium%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
3,946 |
%2818-Crown-6%29-di-iodo-thallium%20%28good%29.mop
|
 |
- |
rw-r--r-- |
1,378 |
%28B%28OH%293%292.mop
|
 |
- |
rw-r--r-- |
1,606 |
%28Be%28Me%292%292%2C%20Complex.mop
|
 |
- |
rw-r--r-- |
1,602 |
%28Be%28Me%292%292r.mop
|
 |
- |
rw-r--r-- |
4,814 |
%28CpIr%292I3%28%2B%29%20%28Bad%29.mop
|
 |
- |
rw-r--r-- |
4,784 |
%28CpIr%292I3%28%2B%29%20%28Good%29.mop
|
 |
- |
rw-r--r-- |
3,745 |
%28Hexafluoroacetylacetonato%29-bis%28trimethylphosphine%29-silver_%28LEFWIC%29%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
3,651 |
%28Hexafluoroacetylacetonato%29-bis%28trimethylphosphine%29-silver_%28LEFWIC%29%20%28good%29.mop
|
 |
- |
rw-r--r-- |
2,128 |
%28KHCO3%294.mop
|
 |
- |
rw-r--r-- |
938 |
01%20Chloromethane%20formaldehyde%20separated.mop
|
 |
- |
rw-r--r-- |
882 |
01%20Chloromethane%20formaldehyde.mop
|
 |
- |
rw-r--r-- |
734 |
01_NH3_dimer%20r.mop
|
 |
- |
rw-r--r-- |
730 |
01_NH3_dimer%20separated.mop
|
 |
- |
rw-r--r-- |
766 |
01_NH3_dimer.mop
|
 |
- |
rw-r--r-- |
861 |
01_NH3_dimer_opt.mop
|
 |
- |
rw-r--r-- |
830 |
01_NH3_dimer_separated_opt.mop
|
 |
- |
rw-r--r-- |
937 |
02%20Bromomethane%20formaldehyde%20separated.mop
|
 |
- |
rw-r--r-- |
877 |
02%20Bromomethane%20formaldehyde.mop
|
 |
- |
rw-r--r-- |
574 |
02_water_dimer%20r.mop
|
 |
- |
rw-r--r-- |
560 |
02_water_dimer%20separated.mop
|
 |
- |
rw-r--r-- |
594 |
02_water_dimer.mop
|
 |
- |
rw-r--r-- |
675 |
02_water_dimer_opt.mop
|
 |
- |
rw-r--r-- |
642 |
02_water_dimer_separated_opt.mop
|
 |
- |
rw-r--r-- |
937 |
03%20Iodomethane%20formaldehyde%20separated.mop
|
 |
- |
rw-r--r-- |
883 |
03%20Iodomethane%20formaldehyde.mop
|
 |
- |
rw-r--r-- |
913 |
03_formic_acid_dimer%20r.mop
|
 |
- |
rw-r--r-- |
911 |
03_formic_acid_dimer%20separated.mop
|
 |
- |
rw-r--r-- |
954 |
03_formic_acid_dimer.mop
|
 |
- |
rw-r--r-- |
1,065 |
03_formic_acid_dimer_opt.mop
|
 |
- |
rw-r--r-- |
1,026 |
03_formic_acid_dimer_separated_opt.mop
|
 |
- |
rw-r--r-- |
947 |
04%20Trifluorochloromethane%20formaldehyde%20separated.mop
|
 |
- |
rw-r--r-- |
905 |
04%20Trifluorochloromethane%20formaldehyde.mop
|
 |
- |
rw-r--r-- |
1,095 |
04_formamide_dimer%20r.mop
|
 |
- |
rw-r--r-- |
1,080 |
04_formamide_dimer%20separated.mop
|
 |
- |
rw-r--r-- |
1,120 |
04_formamide_dimer.mop
|
 |
- |
rw-r--r-- |
1,254 |
04_formamide_dimer_opt.mop
|
 |
- |
rw-r--r-- |
1,216 |
04_formamide_dimer_separated_opt.mop
|
 |
- |
rw-r--r-- |
946 |
05%20Trifluorobromomethane%20formaldehyde%20separated.mop
|
 |
- |
rw-r--r-- |
903 |
05%20Trifluorobromomethane%20formaldehyde.mop
|
 |
- |
rw-r--r-- |
2,349 |
05_uracil_HB%20r.mop
|
 |
- |
rw-r--r-- |
2,107 |
05_uracil_HB%20separated.mop
|
 |
- |
rw-r--r-- |
2,140 |
05_uracil_HB.mop
|
 |
- |
rw-r--r-- |
2,382 |
05_uracil_HB_opt.mop
|
 |
- |
rw-r--r-- |
2,350 |
05_uracil_HB_separated_opt.mop
|
 |
- |
rw-r--r-- |
945 |
06%20Trifluoroiodomethane%20formaldehyde%20separated.mop
|
 |
- |
rw-r--r-- |
901 |
06%20Trifluoroiodomethane%20formaldehyde.mop
|
 |
- |
rw-r--r-- |
2,240 |
06_pyridoxine_aminopyridine%20r.mop
|
 |
- |
rw-r--r-- |
2,217 |
06_pyridoxine_aminopyridine%20separated.mop
|
 |
- |
rw-r--r-- |
2,259 |
06_pyridoxine_aminopyridine.mop
|
 |
- |
rw-r--r-- |
2,507 |
06_pyridoxine_aminopyridine_opt.mop
|
 |
- |
rw-r--r-- |
2,460 |
06_pyridoxine_aminopyridine_separated_opt.mop
|
 |
- |
rw-r--r-- |
2,168 |
07%20Chlorobenzene%20acetone%20separated.mop
|
 |
- |
rw-r--r-- |
1,998 |
07%20Chlorobenzene%20acetone.mop
|
 |
- |
rw-r--r-- |
2,639 |
07_adenine_thymine_WC%20r.mop
|
 |
- |
rw-r--r-- |
2,632 |
07_adenine_thymine_WC%20separated.mop
|
 |
- |
rw-r--r-- |
2,676 |
07_adenine_thymine_WC.mop
|
 |
- |
rw-r--r-- |
2,970 |
07_adenine_thymine_WC_opt.mop
|
 |
- |
rw-r--r-- |
2,945 |
07_adenine_thymine_WC_r.mop
|
 |
- |
rw-r--r-- |
2,929 |
07_adenine_thymine_WC_separated_opt.mop
|
 |
- |
rw-r--r-- |
2,168 |
08%20Bromobenzene%20acetone%20separated.mop
|
 |
- |
rw-r--r-- |
1,995 |
08%20Bromobenzene%20acetone.mop
|
 |
- |
rw-r--r-- |
910 |
08_CH4_dimer%20r.mop
|
 |
- |
rw-r--r-- |
941 |
08_CH4_dimer.mop
|
 |
- |
rw-r--r-- |
1,051 |
08_CH4_dimer_opt.mop
|
 |
- |
rw-r--r-- |
1,020 |
08_CH4_dimer_separated_opt.mop
|
 |
- |
rw-r--r-- |
915 |
08_CH4_dimer_well_separated.mop
|
 |
- |
rw-r--r-- |
2,166 |
09%20Iodobenzene%20acetone%20separated.mop
|
 |
- |
rw-r--r-- |
1,995 |
09%20Iodobenzene%20acetone.mop
|
 |
- |
rw-r--r-- |
1,082 |
09_Ethylene_dimer%20r.mop
|
 |
- |
rw-r--r-- |
1,118 |
09_Ethylene_dimer.mop
|
 |
- |
rw-r--r-- |
1,251 |
09_Ethylene_dimer_opt.mop
|
 |
- |
rw-r--r-- |
1,215 |
09_Ethylene_dimer_separated_opt.mop
|
 |
- |
rw-r--r-- |
1,085 |
09_Ethylene_dimer_well_separated.mop
|
 |
- |
rw-r--r-- |
2,148 |
1%2C4%2C9%2C10-anthracenetetrone%2C%20complex.mop
|
 |
- |
rw-r--r-- |
2,119 |
1-amino-10-ammonium-naphthalene%20cation%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
2,091 |
1-amino-10-ammonium-naphthalene%20cation%20%28good%29.mop
|
 |
- |
rw-r--r-- |
2,460 |
10%20Chlorobenzene%20trimethylamine%20separated.mop
|
 |
- |
rw-r--r-- |
2,267 |
10%20Chlorobenzene%20trimethylamine.mop
|
 |
- |
rw-r--r-- |
1,513 |
10_benzene_methane%20r.mop
|
 |
- |
rw-r--r-- |
1,551 |
10_benzene_methane.mop
|
 |
- |
rw-r--r-- |
1,728 |
10_benzene_methane_opt.mop
|
 |
- |
rw-r--r-- |
1,691 |
10_benzene_methane_separated_opt.mop
|
 |
- |
rw-r--r-- |
1,519 |
10_benzene_methane_well_separated.mop
|
 |
- |
rw-r--r-- |
2,459 |
11%20Bromobenzene%20trimethylamine%20separated.mop
|
 |
- |
rw-r--r-- |
2,267 |
11%20Bromobenzene%20trimethylamine.mop
|
 |
- |
rw-r--r-- |
2,119 |
11_benzene_dimer_stack%20r.mop
|
 |
- |
rw-r--r-- |
2,159 |
11_benzene_dimer_stack.mop
|
 |
- |
rw-r--r-- |
2,401 |
11_benzene_dimer_stack_opt.mop
|
 |
- |
rw-r--r-- |
2,361 |
11_benzene_dimer_stack_separated_opt.mop
|
 |
- |
rw-r--r-- |
2,122 |
11_benzene_dimer_stack_well_separated.mop
|
 |
- |
rw-r--r-- |
2,458 |
12%20Iodobenzene%20trimethylamine%20separated.mop
|
 |
- |
rw-r--r-- |
2,266 |
12%20Iodobenzene%20trimethylamine.mop
|
 |
- |
rw-r--r-- |
1,806 |
12_pyrazine_dimer.mop
|
 |
- |
rw-r--r-- |
2,011 |
12_pyrazine_dimer_opt.mop
|
 |
- |
rw-r--r-- |
1,971 |
12_pyrazine_dimer_separated_opt.mop
|
 |
- |
rw-r--r-- |
1,772 |
12_pyrazine_dimer_well_separated.mop
|
 |
- |
rw-r--r-- |
2,133 |
13_uracil_dimer_stack%20r.mop
|
 |
- |
rw-r--r-- |
2,158 |
13_uracil_dimer_stack.mop
|
 |
- |
rw-r--r-- |
2,400 |
13_uracil_dimer_stack_opt.mop
|
 |
- |
rw-r--r-- |
2,359 |
13_uracil_dimer_stack_separated_opt.mop
|
 |
- |
rw-r--r-- |
2,121 |
13_uracil_dimer_stack_well_separated.mop
|
 |
- |
rw-r--r-- |
2,506 |
14_indole_benzene_stack.mop
|
 |
- |
rw-r--r-- |
2,783 |
14_indole_benzene_stack_opt.mop
|
 |
- |
rw-r--r-- |
2,741 |
14_indole_benzene_stack_separated_opt.mop
|
 |
- |
rw-r--r-- |
2,468 |
14_indole_benzene_stack_well_separated.mop
|
 |
- |
rw-r--r-- |
2,651 |
15_adenine_thymine_stack%20r.mop
|
 |
- |
rw-r--r-- |
2,634 |
15_adenine_thymine_stack%20separated.mop
|
 |
- |
rw-r--r-- |
2,683 |
15_adenine_thymine_stack.mop
|
 |
- |
rw-r--r-- |
914 |
16_Ethylene_acetylene%20r.mop
|
 |
- |
rw-r--r-- |
956 |
16_Ethylene_acetylene.mop
|
 |
- |
rw-r--r-- |
917 |
16_Ethylene_acetylene_well_separated.mop
|
 |
- |
rw-r--r-- |
1,064 |
16_ethene_ethyne_opt.mop
|
 |
- |
rw-r--r-- |
1,024 |
16_ethylene_acetylene_separated_opt.mop
|
 |
- |
rw-r--r-- |
1,339 |
17_benzene_H2O%20r.mop
|
 |
- |
rw-r--r-- |
1,374 |
17_benzene_H2O.mop
|
 |
- |
rw-r--r-- |
1,530 |
17_benzene_H2O_opt.mop
|
 |
- |
rw-r--r-- |
1,493 |
17_benzene_H2O_separated_opt.mop
|
 |
- |
rw-r--r-- |
1,344 |
17_benzene_H2O_well_separated.mop
|
 |
- |
rw-r--r-- |
4,434 |
18-Crown-6-dibromo-lead%28ii%29%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
3,924 |
18-Crown-6-dibromo-lead%28ii%29%20%28good%29.mop
|
 |
- |
rw-r--r-- |
4,402 |
18-Crown-6-dibromo-mercury%28II%29%20%28Bad%29.mop
|
 |
- |
rw-r--r-- |
3,938 |
18-Crown-6-dibromo-mercury%28II%29%20%28good%29.mop
|
 |
- |
rw-r--r-- |
3,942 |
18-Crown-6-diiodo-mercury%28ii%29%20%28good%29.mop
|
 |
- |
rw-r--r-- |
4,411 |
18-crown-6-diiodo-mercury%28ii%29%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
1,423 |
18_benzene_NH3%20r.mop
|
 |
- |
rw-r--r-- |
1,462 |
18_benzene_NH3.mop
|
 |
- |
rw-r--r-- |
1,625 |
18_benzene_NH3_opt.mop
|
 |
- |
rw-r--r-- |
1,592 |
18_benzene_NH3_separated_opt.mop
|
 |
- |
rw-r--r-- |
1,426 |
18_benzene_NH3_well_separated.mop
|
 |
- |
rw-r--r-- |
1,371 |
19_benzene_HCN.mop
|
 |
- |
rw-r--r-- |
1,530 |
19_benzene_HCN_opt.mop
|
 |
- |
rw-r--r-- |
1,497 |
19_benzene_HCN_separated_opt.mop
|
 |
- |
rw-r--r-- |
1,340 |
19_benzene_HCN_well_separated.mop
|
 |
- |
rw-r--r-- |
2,370 |
2-Thiouracil_2-thiouracil%20r.mop
|
 |
- |
rw-r--r-- |
2,164 |
2-Thiouracil_2-thiouracil.mop
|
 |
- |
rw-r--r-- |
2,130 |
2-Thiouracil_2-thiouracil_separated.mop
|
 |
- |
rw-r--r-- |
2,116 |
20_benzene_dimer_T%20r.mop
|
 |
- |
rw-r--r-- |
2,154 |
20_benzene_dimer_T.mop
|
 |
- |
rw-r--r-- |
2,393 |
20_benzene_dimer_T_opt.mop
|
 |
- |
rw-r--r-- |
2,356 |
20_benzene_dimer_T_separated_opt.mop
|
 |
- |
rw-r--r-- |
2,118 |
20_benzene_dimer_T_well_separated.mop
|
 |
- |
rw-r--r-- |
2,498 |
21_indole_benzene_T.mop
|
 |
- |
rw-r--r-- |
2,775 |
21_indole_benzene_T_opt.mop
|
 |
- |
rw-r--r-- |
2,737 |
21_indole_benzene_T_separated_opt.mop
|
 |
- |
rw-r--r-- |
2,462 |
21_indole_benzene_T_well_separated.mop
|
 |
- |
rw-r--r-- |
2,523 |
22_phenol_dimer%20r.mop
|
 |
- |
rw-r--r-- |
2,282 |
22_phenol_dimer%20separated.mop
|
 |
- |
rw-r--r-- |
2,316 |
22_phenol_dimer.mop
|
 |
- |
rw-r--r-- |
2,577 |
22_phenol_dimer_opt.mop
|
 |
- |
rw-r--r-- |
2,543 |
22_phenol_dimer_separated_opt.mop
|
 |
- |
rw-r--r-- |
1,082 |
23_Methanol_dimer%20r.mop
|
 |
- |
rw-r--r-- |
1,117 |
23_Methanol_dimer.mop
|
 |
- |
rw-r--r-- |
1,084 |
23_Methanol_dimer_well_separated.mop
|
 |
- |
rw-r--r-- |
917 |
24_Methanol_formaldehyde%20r.mop
|
 |
- |
rw-r--r-- |
961 |
24_Methanol_formaldehyde.mop
|
 |
- |
rw-r--r-- |
920 |
24_Methanol_formaldehyde_well_separated.mop
|
 |
- |
rw-r--r-- |
711 |
3-Amino-2-propenoic%20acid%20Zwitterion.mop
|
 |
- |
rw-r--r-- |
659 |
3-Amino-2-propenoic%20acid.mop
|
 |
- |
rw-r--r-- |
2,843 |
6-Thioguanine-guanine.mop
|
 |
- |
rw-r--r-- |
3,138 |
6-Thioguanine-guanine_r.mop
|
 |
- |
rw-r--r-- |
2,814 |
6-Thioguanine-guanine_separated.mop
|
 |
- |
rw-r--r-- |
2,861 |
6-Thioguanine_cytosine%20r.mop
|
 |
- |
rw-r--r-- |
2,588 |
6-Thioguanine_cytosine.mop
|
 |
- |
rw-r--r-- |
2,547 |
6-Thioguanine_cytosine_separated.mop
|
 |
- |
rw-r--r-- |
1,016 |
Acetic%20acid%20hydrate.mop
|
 |
- |
rw-r--r-- |
989 |
Acetic%20acid%20plus%20water.mop
|
 |
- |
rw-r--r-- |
810 |
Acetic%20acid.mop
|
 |
- |
rw-r--r-- |
1,706 |
Acetophenone%20%28Bug%29.mop
|
 |
- |
rw-r--r-- |
1,668 |
Acetophenone%2C%20ref.mop
|
 |
- |
rw-r--r-- |
1,491 |
Acetylacetone%20ENE-OL.mop
|
 |
- |
rw-r--r-- |
402 |
Acetylene%2C%20complex.mop
|
 |
- |
rw-r--r-- |
2,411 |
Adenine-4-thiouracil.mop
|
 |
- |
rw-r--r-- |
2,669 |
Adenine-4-thiouracil_r.mop
|
 |
- |
rw-r--r-- |
2,383 |
Adenine-4-thiouracil_separated.mop
|
 |
- |
rw-r--r-- |
2,972 |
Ag%20%28very%20bad%202%29.mop
|
 |
- |
rw-r--r-- |
2,971 |
Ag%20%28very%20bad%29.mop
|
 |
- |
rw-r--r-- |
59 |
Ag%283%2B%29.mop
|
 |
- |
rw-r--r-- |
1,241 |
Ag%28CCH%292%20%28%2B-%29.mop
|
 |
- |
rw-r--r-- |
2,245 |
Ag-S%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
1,304 |
Ag2%28SO4H%292%20%28bad%202%29.mop
|
 |
- |
rw-r--r-- |
1,432 |
Ag2%28SO4H%292%20%28bad%203%29.mop
|
 |
- |
rw-r--r-- |
1,298 |
Ag2%28SO4H%292%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
535 |
Ag2Br2%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
438 |
Ag2Br2%20%28good%29.mop
|
 |
- |
rw-r--r-- |
2,325 |
Ag2O6%282%2B%29%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
2,298 |
Ag2O6%282%2B%29%20%28good%29.mop
|
 |
- |
rw-r--r-- |
957 |
Ag4%28SO2%294.mop
|
 |
- |
rw-r--r-- |
811 |
Ag4Br4%20%28cube%29.mop
|
 |
- |
rw-r--r-- |
5,240 |
Ag4Br4P4%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
5,227 |
Ag4Br4P4%20%28good%29.mop
|
 |
- |
rw-r--r-- |
910 |
Ag4C6%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
811 |
Ag4Cl4%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
804 |
Ag4Cl4.mop
|
 |
- |
rw-r--r-- |
761 |
Ag4S4%20%28bad%202%29.mop
|
 |
- |
rw-r--r-- |
771 |
Ag4S4%20%28bad%203%29.mop
|
 |
- |
rw-r--r-- |
759 |
Ag4S4%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
569 |
Ag4S4.mop
|
 |
- |
rw-r--r-- |
1,118 |
Ag8S8.mop
|
 |
- |
rw-r--r-- |
1,807 |
AgCN%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
1,776 |
AgCN%20%28good%29.mop
|
 |
- |
rw-r--r-- |
236 |
AgN%282%2B%29.mop
|
 |
- |
rw-r--r-- |
2,061 |
AgS3Cl%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
2,049 |
AgS3Cl%20%28good%29.mop
|
 |
- |
rw-r--r-- |
1,289 |
Al2%28OH%296%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
1,256 |
Al2%28OH%296%20%28good%29.mop
|
 |
- |
rw-r--r-- |
777 |
Al2O2%28OH%292%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
736 |
Al2O2%28OH%292%20%28good%29.mop
|
 |
- |
rw-r--r-- |
1,122 |
Al3O3%28OH%293%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
1,086 |
Al3O3%28OH%293%20%28good%29.mop
|
 |
- |
rw-r--r-- |
461 |
Al4%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
964 |
Al4O6.mop
|
 |
- |
rw-r--r-- |
654 |
Al6.mop
|
 |
- |
rw-r--r-- |
8,816 |
Aluminum%20trifluoride%20%28AlF3%29%20r.mop
|
 |
- |
rw-r--r-- |
5,917 |
Aluminum%20trifluoride%20%28AlF3%29.mop
|
 |
- |
rw-r--r-- |
4,395 |
Anatase%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
4,375 |
Anatase%20%28good%29.mop
|
 |
- |
rw-r--r-- |
4,654 |
Anthracene%20photodimer.mop
|
 |
- |
rw-r--r-- |
2,168 |
Anthroquinone%2C%2015%20Degrees.mop
|
 |
- |
rw-r--r-- |
2,129 |
Anthroquinone%2C%20complex.mop
|
 |
- |
rw-r--r-- |
918 |
Antimony%20hexafluoride%20%28-%29%20%28D3h%29.mop
|
 |
- |
rw-r--r-- |
722 |
Antimony%20hexafluoride%20%28-%29%20%28Oh%29.mop
|
 |
- |
rw-r--r-- |
680 |
As%28SH%293%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
657 |
As%28SH%293%20%28good%29.mop
|
 |
- |
rw-r--r-- |
919 |
As2O3%20%28good%29.mop
|
 |
- |
rw-r--r-- |
1,806 |
As2O3%2C%20dimer.mop
|
 |
- |
rw-r--r-- |
768 |
As4S4%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
753 |
As4S4%20%28good%29.mop
|
 |
- |
rw-r--r-- |
1,483 |
As4S4%2C%20dimer%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
1,461 |
As4S4%2C%20dimer%20%28good%29.mop
|
 |
- |
rw-r--r-- |
739 |
As8.mop
|
 |
- |
rw-r--r-- |
347 |
AsO4%283-%29%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
322 |
AsO4%283-%29%20%28good%29.mop
|
 |
- |
rw-r--r-- |
2,845 |
AsS%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
2,914 |
AsS%20%28good%29.mop
|
 |
- |
rw-r--r-- |
1,241 |
Au%28CCH%292%20%28%2B-%29.mop
|
 |
- |
rw-r--r-- |
386 |
Au%28iii%29Cl4%28-%29%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
354 |
Au%28iii%29Cl4%28-%29%20%28good%29.mop
|
 |
- |
rw-r--r-- |
1,457 |
Au2Br6%2C%20dimer%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
1,436 |
Au2Br6%2C%20dimer%20%28good%29.mop
|
 |
- |
rw-r--r-- |
2,331 |
Au2Br6S2%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
2,303 |
Au2Br6S2%20%28good%29.mop
|
 |
- |
rw-r--r-- |
3,015 |
Au2C2Cl2%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
2,846 |
Au2C2Cl2%20%28good%29.mop
|
 |
- |
rw-r--r-- |
439 |
Au2Cl2%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
771 |
Au2Cl6%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
887 |
Au2Cl6.mop
|
 |
- |
rw-r--r-- |
820 |
Au2F6%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
888 |
Au2F6.mop
|
 |
- |
rw-r--r-- |
5,101 |
Au2N2Cl2%2C%20dimer%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
5,067 |
Au2N2Cl2%2C%20dimer%20%28good%29.mop
|
 |
- |
rw-r--r-- |
2,841 |
Au2O4C4%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
2,817 |
Au2O4C4%20%28good%29.mop
|
 |
- |
rw-r--r-- |
451 |
Au4%20%28Td%29.mop
|
 |
- |
rw-r--r-- |
426 |
Au4%2C%20D2h.mop
|
 |
- |
rw-r--r-- |
683 |
Au7%20%28non-planar%29.mop
|
 |
- |
rw-r--r-- |
667 |
Au7%20%28planar%29%20r.mop
|
 |
- |
rw-r--r-- |
657 |
Au7%20%28planar%29.mop
|
 |
- |
rw-r--r-- |
596 |
AuCl4%28-%29%20C2v%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
278 |
AuCl4%28-%29%20D4h%20%28good%29.mop
|
 |
- |
rw-r--r-- |
567 |
AuF4%28-%29%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
564 |
AuF4%28-%29%20%28good%29.mop
|
 |
- |
rw-r--r-- |
270 |
AuF4%28-%29%20D4h%20%28good%29.mop
|
 |
- |
rw-r--r-- |
1,894 |
AuN3Cl%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
1,871 |
AuN3Cl%20%28good%29.mop
|
 |
- |
rw-r--r-- |
1,548 |
AuPI3%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
1,525 |
AuPI3%20%28good%29.mop
|
 |
- |
rw-r--r-- |
197 |
B%284-%29.mop
|
 |
- |
rw-r--r-- |
751 |
B%28OH%293.mop
|
 |
- |
rw-r--r-- |
875 |
BF3%20dimer%20%28Bad%29.mop
|
 |
- |
rw-r--r-- |
844 |
BF3%20dimer%20%28good%29.mop
|
 |
- |
rw-r--r-- |
1,595 |
BH3-NH3%2C%20dimer%20%28Bad%29.mop
|
 |
- |
rw-r--r-- |
1,573 |
BH3-NH3%2C%20dimer.mop
|
 |
- |
rw-r--r-- |
1,241 |
Ba%28CCH%292%20%28%2B-%29.mop
|
 |
- |
rw-r--r-- |
1,755 |
Ba%28II%29%28H2O%296%20r.mop
|
 |
- |
rw-r--r-- |
763 |
Ba%28OH%292%20%28%2B-%29.mop
|
 |
- |
rw-r--r-- |
505 |
Ba%28OH%292%20for%20dipole.mop
|
 |
- |
rw-r--r-- |
99 |
Ba%28i%29F2%20%28ani%29.mop
|
 |
- |
rw-r--r-- |
66 |
Ba%28ii%29F2%20%28Ref%29.mop
|
 |
- |
rw-r--r-- |
101 |
Ba%28iii%29F2%20%28cat%29.mop
|
 |
- |
rw-r--r-- |
60 |
Ba2.mop
|
 |
- |
rw-r--r-- |
647 |
Ba2SiO4r.mop
|
 |
- |
rw-r--r-- |
575 |
BaCl2%20%28%2B-%29.mop
|
 |
- |
rw-r--r-- |
1,213 |
BaCl2%28MeCl%292.mop
|
 |
- |
rw-r--r-- |
1,182 |
BaCl2_plus_%28MeCl%292.mop
|
 |
- |
rw-r--r-- |
1,092 |
BaSO4%2C%20dimer%2C%20separated.mop
|
 |
- |
rw-r--r-- |
1,123 |
BaSO4%2C%20dimer.mop
|
 |
- |
rw-r--r-- |
1,099 |
Be%28Cp%29Cl%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
1,085 |
Be%28Cp%29Cl%20%28good%29.mop
|
 |
- |
rw-r--r-- |
474 |
BeH-NH2%2C%20separated.mop
|
 |
- |
rw-r--r-- |
471 |
Bi%28iii%29Br6%283-%29%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
461 |
Bi%28iii%29Br6%283-%29%20%28good%29.mop
|
 |
- |
rw-r--r-- |
558 |
Bi2Br4%2C%20complex.mop
|
 |
- |
rw-r--r-- |
619 |
Bi2Br4.mop
|
 |
- |
rw-r--r-- |
759 |
BiF6%28-%29%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
712 |
BiF6%28-%29%20%28good%29.mop
|
 |
- |
rw-r--r-- |
382 |
BiI3%2C%20complex.mop
|
 |
- |
rw-r--r-- |
1,663 |
Bis%28cyanido%29%28ethane-1%2C2-diamine-N%2CN%27%29silver%28ii%29_%28SILKEE%29%20%28bad%202%29.mop
|
 |
- |
rw-r--r-- |
1,682 |
Bis%28cyanido%29%28ethane-1%2C2-diamine-N%2CN%27%29silver%28ii%29_%28SILKEE%29%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
1,582 |
Bis%28cyanido%29%28ethane-1%2C2-diamine-N%2CN%27%29silver%28ii%29_%28SILKEE%29%20%28good%29.mop
|
 |
- |
rw-r--r-- |
8,925 |
Boron%20%28B%29%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
8,874 |
Boron%20%28B%29%20%28good%29.mop
|
 |
- |
rw-r--r-- |
106 |
Br3%28-%29%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
82 |
Br3%28-%29%20%28good%29.mop
|
 |
- |
rw-r--r-- |
561 |
BrO4%28-%29%20%28really%20wild%20guess%29.mop
|
 |
- |
rw-r--r-- |
698 |
Bromine%20pentafluoride%2C%20C4v.mop
|
 |
- |
rw-r--r-- |
636 |
Bromine%20pentafluoride%2C%20D3h.mop
|
 |
- |
rw-r--r-- |
479 |
Bromine%20trifluoride%2C%20C2v.mop
|
 |
- |
rw-r--r-- |
443 |
Bromine%20trifluoride%2C%20D3h.mop
|
 |
- |
rw-r--r-- |
818 |
C2F6O%2C%20complex.mop
|
 |
- |
rw-r--r-- |
2,431 |
C6Cl6%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
2,426 |
C6Cl6%20%28ref%29.mop
|
 |
- |
rw-r--r-- |
2,235 |
C6H5Br-C6H6%20complex%20r.mop
|
 |
- |
rw-r--r-- |
2,151 |
C6H5Br-C6H6%20complex.mop
|
 |
- |
rw-r--r-- |
2,126 |
C6H5Br-C6H6%20separated.mop
|
 |
- |
rw-r--r-- |
2,235 |
C6H5Cl-C6H6%20complex%20r.mop
|
 |
- |
rw-r--r-- |
2,156 |
C6H5Cl-C6H6%20complex.mop
|
 |
- |
rw-r--r-- |
2,119 |
C6H5Cl-C6H6%20separated.mop
|
 |
- |
rw-r--r-- |
2,233 |
C6H5I-C6H6%20complex%20r.mop
|
 |
- |
rw-r--r-- |
2,149 |
C6H5I-C6H6%20complex.mop
|
 |
- |
rw-r--r-- |
2,121 |
C6H5I-C6H6%20separated.mop
|
 |
- |
rw-r--r-- |
2,316 |
C6H6-C6H6%20%28T%29.mop
|
 |
- |
rw-r--r-- |
454 |
CO%20dimer%20%28Bad%29.mop
|
 |
- |
rw-r--r-- |
425 |
CO%20dimer.mop
|
 |
- |
rw-r--r-- |
1,710 |
Ca%28%2B%2B%29%28H2O%296.mop
|
 |
- |
rw-r--r-- |
1,707 |
Ca%28%2B%2B%29%28H2O%296r.mop
|
 |
- |
rw-r--r-- |
1,385 |
Ca%28H2PO4%292r.mop
|
 |
- |
rw-r--r-- |
60 |
Ca2.mop
|
 |
- |
rw-r--r-- |
555 |
Ca2I4.mop
|
 |
- |
rw-r--r-- |
538 |
Ca5.mop
|
 |
- |
rw-r--r-- |
324 |
CaC2.mop
|
 |
- |
rw-r--r-- |
297 |
CaF2_ref.mop
|
 |
- |
rw-r--r-- |
327 |
CaF2_wrong.mop
|
 |
- |
rw-r--r-- |
1,079 |
Cd%28CH3%292%20%28%2B-%29.mop
|
 |
- |
rw-r--r-- |
592 |
Cd-Se%20%28bad%29%20b.mop
|
 |
- |
rw-r--r-- |
837 |
Cd-Se%20%28bad%29%20c.mop
|
 |
- |
rw-r--r-- |
591 |
Cd-Se%20%28bad%29%20d.mop
|
 |
- |
rw-r--r-- |
481 |
Cd-Se%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
574 |
Cd-Se%20%28good%29.mop
|
 |
- |
rw-r--r-- |
463 |
Cd4%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
487 |
Cd4%20%28good%29.mop
|
 |
- |
rw-r--r-- |
1,289 |
CdSN%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
1,269 |
CdSN%20%28good%29.mop
|
 |
- |
rw-r--r-- |
2,612 |
Celestine%20%28SrSO4%29%28s%29%20r.mop
|
 |
- |
rw-r--r-- |
2,603 |
Celestine%20%28SrSO4%29%28s%29.mop
|
 |
- |
rw-r--r-- |
477 |
Cesium%20chloride%2C%20dimer.mop
|
 |
- |
rw-r--r-- |
396 |
Cesium%20iodide%2C%20dimer.mop
|
 |
- |
rw-r--r-- |
4,031 |
Co%20-%20Co%206p6.mop
|
 |
- |
rw-r--r-- |
4,051 |
Co%20-%20Co%207p0.mop
|
 |
- |
rw-r--r-- |
82 |
Co%28%2B2%29%20-%20%28%2B%29%20heat.mop
|
 |
- |
rw-r--r-- |
122 |
Co%28%2B2%29%20-%20%28%2B%29%20slope.mop
|
 |
- |
rw-r--r-- |
55 |
Co%288%2B%29.mop
|
 |
- |
rw-r--r-- |
1,327 |
Co%28CCH%293%20%28%2B-%29.mop
|
 |
- |
rw-r--r-- |
1,143 |
Co%28CO%294%20%28-%29%20%28%2B-%29.mop
|
 |
- |
rw-r--r-- |
1,110 |
Co%28CO%294%20%28-%29%20%28C4v%29.mop
|
 |
- |
rw-r--r-- |
915 |
Co%28CO%294%20%28-%29%20%28D2d%29.mop
|
 |
- |
rw-r--r-- |
877 |
Co%28CO%294%20%28-%29%20%28D4h%29.mop
|
 |
- |
rw-r--r-- |
891 |
Co%28CO%294%20%28-%29%20%28Td%29.mop
|
 |
- |
rw-r--r-- |
1,154 |
Co%28CO%295%20cation%20C4v%20%28Bad%29.mop
|
 |
- |
rw-r--r-- |
1,134 |
Co%28CO%295%20cation%20D3h%20%28Ref%29.mop
|
 |
- |
rw-r--r-- |
1,154 |
Co%28CO%295%20cation%20D3h%20%28bad-2%29.mop
|
 |
- |
rw-r--r-- |
1,892 |
Co%28II%29Cp2%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
1,869 |
Co%28II%29Cp2%20%28good%29.mop
|
 |
- |
rw-r--r-- |
2,661 |
Co%28III%29IS2Cp%20%28GECVEP%29%20%28good%29.mop
|
 |
- |
rw-r--r-- |
2,718 |
Co%28III%29IS2Cp%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
5,389 |
Co%28cp%293%20heat.mop
|
 |
- |
rw-r--r-- |
5,417 |
Co%28cp%293%20slope.mop
|
 |
- |
rw-r--r-- |
1,553 |
Co-N%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
1,530 |
Co-N%20%28good%29.mop
|
 |
- |
rw-r--r-- |
475 |
Co4%20rhf.mop
|
 |
- |
rw-r--r-- |
480 |
Co4%20uhf.mop
|
 |
- |
rw-r--r-- |
571 |
Co5.mop
|
 |
- |
rw-r--r-- |
2,144 |
CoI2%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
1,812 |
CoN4I2%28-%29%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
1,784 |
CoN4I2%28-%29%20%28good%29.mop
|
 |
- |
rw-r--r-- |
565 |
Copper%28II%29%20tetrabromide%2C%20dianion.mop
|
 |
- |
rw-r--r-- |
566 |
Copper%28II%29%20tetrachloride%2C%20dianion.mop
|
 |
- |
rw-r--r-- |
610 |
Copper%28II%29%20tetrafluoride%2C%20dianion%20%28Td%29.mop
|
 |
- |
rw-r--r-- |
565 |
Copper%28II%29%20tetrafluoride%2C%20dianion.mop
|
 |
- |
rw-r--r-- |
555 |
Copper%28II%29%20tetraiodide%2C%20dianion.mop
|
 |
- |
rw-r--r-- |
1,348 |
Cr%28CN%296%283-%29%20%28bad%202%29.mop
|
 |
- |
rw-r--r-- |
1,347 |
Cr%28CN%296%283-%29%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
1,275 |
Cr%28CN%296%283-%29%20%28good%29.mop
|
 |
- |
rw-r--r-- |
9,893 |
Cr2SiO4.mop
|
 |
- |
rw-r--r-- |
9,890 |
Cr2SiO4_a.mop
|
 |
- |
rw-r--r-- |
464 |
CrCl3%20%28%2B-%29.mop
|
 |
- |
rw-r--r-- |
623 |
CrF5%28H2O%29%28-%29%20%28bad-charge%29.mop
|
 |
- |
rw-r--r-- |
583 |
CrF5%28H2O%29%282-%29%20%28Good%29.mop
|
 |
- |
rw-r--r-- |
619 |
CrF5%28H2O%29%282-%29%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
588 |
CrO3F%28-%29.mop
|
 |
- |
rw-r--r-- |
539 |
CrO3F.mop
|
 |
- |
rw-r--r-- |
1,018 |
Cs%28%2B%29%28H2O%293.Br.mop
|
 |
- |
rw-r--r-- |
1,017 |
Cs%28%2B%29%28H2O%293.F.mop
|
 |
- |
rw-r--r-- |
1,714 |
Cs%28%2B%29%28H2O%296.mop
|
 |
- |
rw-r--r-- |
1,712 |
Cs%28%2B%29%28H2O%296r.mop
|
 |
- |
rw-r--r-- |
1,644 |
Cs%280%29%28Acac%29%20%28%2B-%29.mop
|
 |
- |
rw-r--r-- |
1,243 |
Cu%28CCH%292%20%28%2B-%29.mop
|
 |
- |
rw-r--r-- |
2,183 |
Cu%28II%29N2Br2%20%28BAEPYC%29%20%28Bad%29.mop
|
 |
- |
rw-r--r-- |
2,161 |
Cu%28II%29N2Br2%20%28Ref%29.mop
|
 |
- |
rw-r--r-- |
1,232 |
Cu%28II%29O2Cl2%20%28CETDCU10%29%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
1,197 |
Cu%28II%29O2Cl2%20%28CETDCU10%29%20%28good%29.mop
|
 |
- |
rw-r--r-- |
724 |
Cu%28OH%292%20%28%2B-%29.mop
|
 |
- |
rw-r--r-- |
100 |
Cu%28i%29F2%20%28ani%29.mop
|
 |
- |
rw-r--r-- |
66 |
Cu%28ii%29F2%20%28Ref%29.mop
|
 |
- |
rw-r--r-- |
101 |
Cu%28iii%29F2%20%28cat%29.mop
|
 |
- |
rw-r--r-- |
543 |
Cu-SO4%20%28good%29.mop
|
 |
- |
rw-r--r-- |
5,248 |
Cu4Br4N4%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
5,212 |
Cu4Br4N4%20%28good%29.mop
|
 |
- |
rw-r--r-- |
5,265 |
Cu4Cl4N4%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
5,206 |
Cu4Cl4N4%20%28good%29.mop
|
 |
- |
rw-r--r-- |
6,599 |
Cu4S8%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
6,581 |
Cu4S8%20%28good%29.mop
|
 |
- |
rw-r--r-- |
5,240 |
CuBr3N%20%28bad%202%29.mop
|
 |
- |
rw-r--r-- |
2,483 |
CuBr3N%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
5,208 |
CuBr3N%20%28good%202%29.mop
|
 |
- |
rw-r--r-- |
2,454 |
CuBr3N%20%28good%29.mop
|
 |
- |
rw-r--r-- |
770 |
CuBr6%284-%29%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
734 |
CuBr6%284-%29%20%28good%29.mop
|
 |
- |
rw-r--r-- |
1,213 |
CuCl2O2%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
1,192 |
CuCl2O2%20%28good%29.mop
|
 |
- |
rw-r--r-- |
462 |
CuCl3%20%28%2B-%29.mop
|
 |
- |
rw-r--r-- |
5,240 |
CuCl3N%20%28bad%202%29.mop
|
 |
- |
rw-r--r-- |
1,624 |
CuCl3N%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
5,206 |
CuCl3N%20%28good%202%29.mop
|
 |
- |
rw-r--r-- |
1,599 |
CuCl3N%20%28good%29.mop
|
 |
- |
rw-r--r-- |
539 |
CuCl4%282-%29%20D4h.mop
|
 |
- |
rw-r--r-- |
565 |
CuCl4%282-%29%20Td.mop
|
 |
- |
rw-r--r-- |
652 |
CuO-SO3%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
1,327 |
CuO2Cl2%20r.mop
|
 |
- |
rw-r--r-- |
4,885 |
CuS2I2%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
4,871 |
CuS2I2%20%28good%29.mop
|
 |
- |
rw-r--r-- |
2,077 |
CuS3I%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
2,051 |
CuS3I%20%28good%29.mop
|
 |
- |
rw-r--r-- |
4,003 |
Dichloro-%2818-crown-6%29-thallium%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
3,947 |
Dichloro-%2818-crown-6%29-thallium%20%28good%29.mop
|
 |
- |
rw-r--r-- |
1,971 |
Diels-alder%20Cyclopentadiene%20endo.mop
|
 |
- |
rw-r--r-- |
2,013 |
Diels-alder%20Cyclopentadiene%20exo.mop
|
 |
- |
rw-r--r-- |
850 |
Dilanthanum%20heptachloride%2C%20anion%20%28Ref%29.mop
|
 |
- |
rw-r--r-- |
835 |
Dimethyl%20beryllium%2C%20complex.mop
|
 |
- |
rw-r--r-- |
3,013 |
EPI_B3P%2C%2010%20degrees.mop
|
 |
- |
rw-r--r-- |
2,986 |
EPI_B3P%2C%20complex.mop
|
 |
- |
rw-r--r-- |
823 |
Ethane%20%28eclipsed%29.mop
|
 |
- |
rw-r--r-- |
811 |
Ethanol%2C%20complex.mop
|
 |
- |
rw-r--r-- |
1,071 |
Fe%28CO%295%20%28C4V%29.mop
|
 |
- |
rw-r--r-- |
1,151 |
Fe%28CO%295%20%28C4V%29a.mop
|
 |
- |
rw-r--r-- |
1,117 |
Fe%28CO%295%20%28D3h%29.mop
|
 |
- |
rw-r--r-- |
1,126 |
Fe%28CO%295%20%28good%29.mop
|
 |
- |
rw-r--r-- |
2,253 |
FeCO%281%2C3-C4H6%292%2C%20complex.mop
|
 |
- |
rw-r--r-- |
462 |
FeCl3%20%28%2B-%29.mop
|
 |
- |
rw-r--r-- |
573 |
FeCl4%28-%29%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
547 |
FeCl4%28-%29%20%28good%29.mop
|
 |
- |
rw-r--r-- |
638 |
FeCl4%28-%29%20Td%202A1.mop
|
 |
- |
rw-r--r-- |
482 |
Fluoromethane%2C%20complex.mop
|
 |
- |
rw-r--r-- |
4,747 |
Ge6%28Me%2912%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
6,820 |
Ge6%28Me%2912%20%28good%29.mop
|
 |
- |
rw-r--r-- |
260 |
Germanium%20selenide%2C%20separated0.mop
|
 |
- |
rw-r--r-- |
1,245 |
Germanocene%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
1,843 |
Germanocene%20%28good%29.mop
|
 |
- |
rw-r--r-- |
658 |
H%28%2B%29%28H2O%292.mop
|
 |
- |
rw-r--r-- |
666 |
H%28%2B%29%28H2O%292r.mop
|
 |
- |
rw-r--r-- |
382 |
H2S2%2C%20complex.mop
|
 |
- |
rw-r--r-- |
567 |
H2Te-H2Se%2C%20separated.mop
|
 |
- |
rw-r--r-- |
413 |
H3SiOH_115_degrees.mop
|
 |
- |
rw-r--r-- |
379 |
H3SiOH_180_degrees.mop
|
 |
- |
rw-r--r-- |
243 |
H4Br4%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
227 |
H4Br4%20%28good%29.mop
|
 |
- |
rw-r--r-- |
742 |
H4Cl4%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
227 |
H4Cl4%20%28good%29.mop
|
 |
- |
rw-r--r-- |
1,282 |
H9O5%2C%20anion%20%28Bad%29.mop
|
 |
- |
rw-r--r-- |
1,262 |
H9O5%2C%20anion.mop
|
 |
- |
rw-r--r-- |
1,121 |
HCONH2-HCONH2.mop
|
 |
- |
rw-r--r-- |
950 |
HCOOH-HCOOH.mop
|
 |
- |
rw-r--r-- |
561 |
HIO3%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
490 |
HIO3%20%28good%29.mop
|
 |
- |
rw-r--r-- |
1,013 |
HIO3%20dimer%20separate.mop
|
 |
- |
rw-r--r-- |
1,035 |
HIO3%20dimer.mop
|
 |
- |
rw-r--r-- |
669 |
HIO4%20%28really%20wild%20guess%29.mop
|
 |
- |
rw-r--r-- |
1,227 |
HIO4%20bad.mop
|
 |
- |
rw-r--r-- |
1,198 |
HIO4%20separated.mop
|
 |
- |
rw-r--r-- |
909 |
Hafnium%20hexafluoride%20%28D3h%29.mop
|
 |
- |
rw-r--r-- |
723 |
Hafnium%20hexafluoride%20%28Oh%29.mop
|
 |
- |
rw-r--r-- |
2,482 |
Hexachlorobenzene%20%28dimer%29.mop
|
 |
- |
rw-r--r-- |
3,614 |
Hexamminedichromium%20hexacyanide%20%5BCr%28NH3%296%5D%5BCr%28CN%296%5D%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
2,514 |
Hexamminedichromium%20hexacyanide%20%5BCr%28NH3%296%5D%5BCr%28CN%296%5D%20%28good%29.mop
|
 |
- |
rw-r--r-- |
5,221 |
Hf%20%28ICEHED%29%20%28Bad%29.mop
|
 |
- |
rw-r--r-- |
5,198 |
Hf%20%28ICEHED%29%20%28Good%29.mop
|
 |
- |
rw-r--r-- |
1,916 |
Hf%28BH4%294%20%28bad%202%29.mop
|
 |
- |
rw-r--r-- |
1,914 |
Hf%28BH4%294%20%28bad%203%29.mop
|
 |
- |
rw-r--r-- |
1,914 |
Hf%28BH4%294%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
1,884 |
Hf%28BH4%294%20%28good%29.mop
|
 |
- |
rw-r--r-- |
2,582 |
Hf%28Cp%292%28Me%292%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
2,577 |
Hf%28Cp%292%28Me%292%20%28good%29.mop
|
 |
- |
rw-r--r-- |
2,135 |
Hf%28EDTA%29%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
2,109 |
Hf%28EDTA%29%20%28good%29.mop
|
 |
- |
rw-r--r-- |
489 |
Hf4%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
476 |
Hf4%20%28good%29.mop
|
 |
- |
rw-r--r-- |
628 |
Hf6.mop
|
 |
- |
rw-r--r-- |
988 |
HfBr4%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
966 |
HfBr4%20%28good%29.mop
|
 |
- |
rw-r--r-- |
4,741 |
HfC10Cl2%28%2B%29%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
4,730 |
HfC10Cl2%28%2B%29%20%28good%29.mop
|
 |
- |
rw-r--r-- |
989 |
HfCl4%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
965 |
HfCl4%20%28good%29.mop
|
 |
- |
rw-r--r-- |
734 |
HfF6%282-%29%20%28Oh%29%20%28good%29.mop
|
 |
- |
rw-r--r-- |
769 |
HfF6%282-%29%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
592 |
Hg-Se%20%28bad%29%20b.mop
|
 |
- |
rw-r--r-- |
837 |
Hg-Se%20%28bad%29%20c.mop
|
 |
- |
rw-r--r-- |
591 |
Hg-Se%20%28bad%29%20d.mop
|
 |
- |
rw-r--r-- |
488 |
Hg-Se%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
574 |
Hg-Se%20%28good%29.mop
|
 |
- |
rw-r--r-- |
311 |
Hydrogen%20cyanide%2C%20complex.mop
|
 |
- |
rw-r--r-- |
443 |
I2%20dimer%20separated.mop
|
 |
- |
rw-r--r-- |
464 |
I2%20dimer.mop
|
 |
- |
rw-r--r-- |
817 |
I6%282-%29%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
789 |
I6%282-%29%20%28good%29.mop
|
 |
- |
rw-r--r-- |
612 |
IO4%28-%29%20%28really%20wild%20guess%29.mop
|
 |
- |
rw-r--r-- |
482 |
InF6%283-%29%20%28Bad%29.mop
|
 |
- |
rw-r--r-- |
456 |
InF6%283-%29%20%28Good%29.mop
|
 |
- |
rw-r--r-- |
5,814 |
Ir%20-%20Ir%2010p0.mop
|
 |
- |
rw-r--r-- |
5,860 |
Ir%20-%20Ir%209p4.mop
|
 |
- |
rw-r--r-- |
1,327 |
Ir%28CCH%293%20%28%2B-%29.mop
|
 |
- |
rw-r--r-- |
732 |
Ir%28iv%29Cl6%28%3D%29%20%28good%29.mop
|
 |
- |
rw-r--r-- |
730 |
Ir%28v%29Cl6%28-%29%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
3,695 |
IrC10%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
3,690 |
IrC10%20%28good%29.mop
|
 |
- |
rw-r--r-- |
3,349 |
IrC2O2%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
3,312 |
IrC2O2%20%28good%29.mop
|
 |
- |
rw-r--r-- |
462 |
IrCl3%20%28%2B-%29.mop
|
 |
- |
rw-r--r-- |
492 |
IrCl3F3%28-%29%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
462 |
IrCl3F3%28-%29%20%28good%29.mop
|
 |
- |
rw-r--r-- |
489 |
IrCl3F3%280%29%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
891 |
IrF5%20%28%2B-%29.mop
|
 |
- |
rw-r--r-- |
752 |
IrF6%20%28Oh%29.mop
|
 |
- |
rw-r--r-- |
746 |
IrF6%28-%29%20%28Oh%29.mop
|
 |
- |
rw-r--r-- |
716 |
IrF6.mop
|
 |
- |
rw-r--r-- |
2,172 |
IrS6%20r.mop
|
 |
- |
rw-r--r-- |
1,713 |
K%28%2B%29%28H2O%296.mop
|
 |
- |
rw-r--r-- |
1,716 |
K%28%2B%29%28H2O%296r.mop
|
 |
- |
rw-r--r-- |
2,490 |
K%28%2B%29-18-crown-6_bad.mop
|
 |
- |
rw-r--r-- |
2,456 |
K%28%2B%29-18-crown-6_ref.mop
|
 |
- |
rw-r--r-- |
388 |
K-C.mop
|
 |
- |
rw-r--r-- |
1,327 |
La%28CCH%293%20%28%2B-%29.mop
|
 |
- |
rw-r--r-- |
1,729 |
La%28H2O%299%283%2B%29%20%28Bad%29.mop
|
 |
- |
rw-r--r-- |
1,697 |
La%28H2O%299%283%2B%29%20%28Good%29.mop
|
 |
- |
rw-r--r-- |
447 |
La4%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
874 |
La6%20%28D3h%29%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
855 |
La6%20%28D3h%29%20%28good%29.mop
|
 |
- |
rw-r--r-- |
1,190 |
LaN%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
2,514 |
LaO3Br4%20%28-%29%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
2,473 |
LaO3Br4%20%28-%29%20%28good%29.mop
|
 |
- |
rw-r--r-- |
4,321 |
LaO6Br2%20%28%2B%29%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
4,284 |
LaO6Br2%20%28%2B%29%20%28good%29.mop
|
 |
- |
rw-r--r-- |
71 |
Lead%2C%20anion.mop
|
 |
- |
rw-r--r-- |
65 |
Lead%2C%20cation.mop
|
 |
- |
rw-r--r-- |
1,710 |
Li%28%2B%29%28H2O%296.mop
|
 |
- |
rw-r--r-- |
1,707 |
Li%28%2B%29%28H2O%296r.mop
|
 |
- |
rw-r--r-- |
522 |
Lu5.mop
|
 |
- |
rw-r--r-- |
599 |
Lu6%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
3,276 |
LuCp2C2P%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
3,250 |
LuCp2C2P%20%28good%29.mop
|
 |
- |
rw-r--r-- |
1,580 |
Magnesium%20Diiodide%20%28MgI2%29%28s%29%20r.mop
|
 |
- |
rw-r--r-- |
1,578 |
Magnesium%20Diiodide%20%28MgI2%29%28s%29.mop
|
 |
- |
rw-r--r-- |
305 |
Magnesium%20fluoride%2C%20complex.mop
|
 |
- |
rw-r--r-- |
3,547 |
Manganese%28ii%29%20diiodide%20%28MnI2%29%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
2,386 |
Manganese%28ii%29%20diiodide%20%28MnI2%29%20%28good%29.mop
|
 |
- |
rw-r--r-- |
946 |
Me3AsI2%20%28Bad%29.mop
|
 |
- |
rw-r--r-- |
1,328 |
Me3AsI2%20%28good%29.mop
|
 |
- |
rw-r--r-- |
992 |
Methyl%20acetate%2C%20complex.mop
|
 |
- |
rw-r--r-- |
1,545 |
Methyl%20ammonium%20acetate%20Zwitterion.mop
|
 |
- |
rw-r--r-- |
1,083 |
Methyl%20ethyl%20ether%2C%20complex.mop
|
 |
- |
rw-r--r-- |
483 |
Methyl%20lithium%2C%20complex.mop
|
 |
- |
rw-r--r-- |
1,491 |
Methylamine%20plus%20acetic%20acid.mop
|
 |
- |
rw-r--r-- |
2,271 |
Mg%28H2O%294%28P2O7%29%282-%29%20%28Bad%29.mop
|
 |
- |
rw-r--r-- |
2,241 |
Mg%28H2O%294%28P2O7%29%282-%29%20%28Good%29.mop
|
 |
- |
rw-r--r-- |
2,622 |
Mg%28H2P3O10%292%28-4%29%20%28Bad%201%29.mop
|
 |
- |
rw-r--r-- |
2,625 |
Mg%28H2P3O10%292%28-4%29%20%28Bad%202%29.mop
|
 |
- |
rw-r--r-- |
2,835 |
Mg%28H2P3O10%292%28-4%29%20%28Bad%203%29.mop
|
 |
- |
rw-r--r-- |
2,787 |
Mg%28H2P3O10%292%28-4%29%20%28Bad%204%29.mop
|
 |
- |
rw-r--r-- |
2,787 |
Mg%28H2P3O10%292%28-4%29%20%28Bad%205%29.mop
|
 |
- |
rw-r--r-- |
3,134 |
Mg%28H2P3O10%292%28-4%29%20%28Bad%29%20int.mop
|
 |
- |
rw-r--r-- |
3,101 |
Mg%28H2P3O10%292%28-4%29%20%28Good%29%20int.mop
|
 |
- |
rw-r--r-- |
2,740 |
Mg%28H2P3O10%292%28-4%29%20%28Good%29.mop
|
 |
- |
rw-r--r-- |
3,180 |
Mg%28H2P3O10%292%28-4%29r.mop
|
 |
- |
rw-r--r-- |
1,953 |
Mg%28II%29%28H2O%296%20%28Bad%201%29.mop
|
 |
- |
rw-r--r-- |
1,745 |
Mg%28II%29%28H2O%296%20%28Good%29.mop
|
 |
- |
rw-r--r-- |
1,751 |
Mg%28II%29%28H2O%296%20r.mop
|
 |
- |
rw-r--r-- |
1,893 |
Mg%28NMe2%292_1p8.mop
|
 |
- |
rw-r--r-- |
1,893 |
Mg%28NMe2%292_2p0.mop
|
 |
- |
rw-r--r-- |
1,863 |
Mg%28NMe2%292_opt.mop
|
 |
- |
rw-r--r-- |
1,868 |
Mg%28NMe2%292_opt_r.mop
|
 |
- |
rw-r--r-- |
813 |
Mg4O4.mop
|
 |
- |
rw-r--r-- |
575 |
Mg6.mop
|
 |
- |
rw-r--r-- |
1,472 |
Min_Sn%28IV%29%28H2O%293.%28OH%293r.mop
|
 |
- |
rw-r--r-- |
608 |
Min_Sn2O4r.mop
|
 |
- |
rw-r--r-- |
2,764 |
Mn%280%29%20complex%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
1,327 |
Mn%28CCH%293%20%28%2B-%29.mop
|
 |
- |
rw-r--r-- |
4,304 |
Mn%28II%29%20complex%20%28good%29.mop
|
 |
- |
rw-r--r-- |
4,338 |
Mn%28ii%29%20complex%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
523 |
Mn%28ii%29F4%20%28D4h%29.mop
|
 |
- |
rw-r--r-- |
548 |
Mn%28iii%29F4%20%28D4h%29.mop
|
 |
- |
rw-r--r-- |
429 |
Mn2O2.mop
|
 |
- |
rw-r--r-- |
938 |
Mn2Ti2O6%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
1,087 |
Mn4O8.mop
|
 |
- |
rw-r--r-- |
462 |
MnCl3%20%28%2B-%29.mop
|
 |
- |
rw-r--r-- |
1,040 |
MnF4O2%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
1,009 |
MnF4O2%20%28good%29.mop
|
 |
- |
rw-r--r-- |
4,659 |
MnO8%282%2B%29%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
4,723 |
MnO8%282%2B%29%20%28good%29.mop
|
 |
- |
rw-r--r-- |
1,231 |
Mo2Cl10%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
1,205 |
Mo2Cl10%20%28good%29.mop
|
 |
- |
rw-r--r-- |
464 |
Mo4%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
1,785 |
N-Methyl%20piperidine%20%28eq%29%2C%20complex.mop
|
 |
- |
rw-r--r-- |
1,108 |
NE%203-amino-2-propenoic%20acid.mop
|
 |
- |
rw-r--r-- |
1,675 |
NE%20m-aminobenzoic%20acid.mop
|
 |
- |
rw-r--r-- |
1,675 |
NE%20para-Amino%20benzoic%20acid.mop
|
 |
- |
rw-r--r-- |
665 |
NH3-H2O.mop
|
 |
- |
rw-r--r-- |
651 |
NH3-HF%20%28Bad%29.mop
|
 |
- |
rw-r--r-- |
628 |
NH4-F%20%28Good%29.mop
|
 |
- |
rw-r--r-- |
654 |
NH4-F%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
650 |
NH4I%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
625 |
NH4I%20%28good%29.mop
|
 |
- |
rw-r--r-- |
1,710 |
Na%28%2B%29%28H2O%296.mop
|
 |
- |
rw-r--r-- |
1,715 |
Na%28%2B%29%28H2O%296r.mop
|
 |
- |
rw-r--r-- |
1,864 |
Na%28%2B%29-%28OMe2%292.mop
|
 |
- |
rw-r--r-- |
1,897 |
Na%28%2B%29-%28OMe2%292_%28PM6%29.mop
|
 |
- |
rw-r--r-- |
3,491 |
Na%28%2B%29-15-crown-5.mop
|
 |
- |
rw-r--r-- |
3,512 |
Na%28%2B%29-15-crown-5_%28PM6%29.mop
|
 |
- |
rw-r--r-- |
2,271 |
Na3%28TiCl6%29%28s%29%20r.mop
|
 |
- |
rw-r--r-- |
924 |
Na3AlF6r.mop
|
 |
- |
rw-r--r-- |
1,543 |
Naphthyl_RHF.mop
|
 |
- |
rw-r--r-- |
1,566 |
Naphthyl_uhf.mop
|
 |
- |
rw-r--r-- |
1,194 |
Nb%28CN%296%28-%29%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
1,274 |
Nb%28CN%296%28-%29%20%28good%29.mop
|
 |
- |
rw-r--r-- |
4,216 |
Nb2C10I4%28%2B%29%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
4,182 |
Nb2C10I4%28%2B%29%20%28good%29.mop
|
 |
- |
rw-r--r-- |
2,142 |
Nb4F20%20%28bad%202%29.mop
|
 |
- |
rw-r--r-- |
2,138 |
Nb4F20%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
2,114 |
Nb4F20%20%28good%29.mop
|
 |
- |
rw-r--r-- |
944 |
Ni%28CO%293%20%28%2B-%29.mop
|
 |
- |
rw-r--r-- |
825 |
Ni%28CO%294_Ref.mop
|
 |
- |
rw-r--r-- |
908 |
Niobium%20hexafluoride%20%28D3h%29.mop
|
 |
- |
rw-r--r-- |
726 |
Niobium%20hexafluoride%20%28Oh%29.mop
|
 |
- |
rw-r--r-- |
223 |
O2_ref.mop
|
 |
- |
rw-r--r-- |
1,396 |
Orthoboric%20acid%2C%20dimer%20r.mop
|
 |
- |
rw-r--r-- |
1,429 |
Orthoboric%20acid%2C%20dimer.mop
|
 |
- |
rw-r--r-- |
718 |
Orthoboric%20acid.mop
|
 |
- |
rw-r--r-- |
945 |
Os%28CO%293%20%28%2B-%29.mop
|
 |
- |
rw-r--r-- |
590 |
Os%28CO%294%20dianion%20%28Bad%29.mop
|
 |
- |
rw-r--r-- |
892 |
Os%28CO%294%20dianion%20%28Td%29%20%28Ref%29.mop
|
 |
- |
rw-r--r-- |
1,131 |
Os%28CO%295%20%28C4v%29%20%28Bad%29.mop
|
 |
- |
rw-r--r-- |
1,063 |
Os%28CO%295%20%28D3h%29%20%28Ref%29.mop
|
 |
- |
rw-r--r-- |
2,390 |
Os3%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
2,415 |
Os3%28CO%2912%20%28Good%29.mop
|
 |
- |
rw-r--r-- |
2,454 |
Os3%28CO%2912%20%28bad%202%29.mop
|
 |
- |
rw-r--r-- |
2,455 |
Os3%28CO%2912%20%28bad%203%29.mop
|
 |
- |
rw-r--r-- |
2,677 |
Os3%28CO%2912%20%28bad%204%29.mop
|
 |
- |
rw-r--r-- |
2,676 |
Os3%28CO%2912%20%28bad%205%29.mop
|
 |
- |
rw-r--r-- |
2,158 |
Os4F20%20%28bad%202%29.mop
|
 |
- |
rw-r--r-- |
2,160 |
Os4F20%20%28bad%203%29.mop
|
 |
- |
rw-r--r-- |
2,164 |
Os4F20%20%28bad%204%29.mop
|
 |
- |
rw-r--r-- |
2,154 |
Os4F20%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
2,138 |
Os4F20%20%28good%29.mop
|
 |
- |
rw-r--r-- |
1,976 |
OsC10Cl%28%2B%29%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
1,948 |
OsC10Cl%28%2B%29%20%28good%29.mop
|
 |
- |
rw-r--r-- |
2,149 |
OsF5%20%28bad%202%29.mop
|
 |
- |
rw-r--r-- |
4,233 |
OsF5%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
2,114 |
OsF5%20%28good%29.mop
|
 |
- |
rw-r--r-- |
697 |
OsF6%282-%29%20%28Bad%202%29.mop
|
 |
- |
rw-r--r-- |
726 |
OsF6%282-%29%20%28Good%29.mop
|
 |
- |
rw-r--r-- |
696 |
OsF6%282-%29%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
545 |
OsO4.mop
|
 |
- |
rw-r--r-- |
948 |
Osmium%20hexafluoride%20%28D3h%29.mop
|
 |
- |
rw-r--r-- |
752 |
Osmium%20hexafluoride%20%28Oh%29.mop
|
 |
- |
rw-r--r-- |
88 |
Osmium%2C%20trianion.mop
|
 |
- |
rw-r--r-- |
592 |
Oxalate%20%28twisted%29.mop
|
 |
- |
rw-r--r-- |
573 |
Oxalate.mop
|
 |
- |
rw-r--r-- |
773 |
Oxalic%20acid%20%28t%2Ct%29%28twisted%29.mop
|
 |
- |
rw-r--r-- |
1,493 |
Oxalic%20acid%20dimer%2C%203p47.mop
|
 |
- |
rw-r--r-- |
1,434 |
Oxalic%20acid%20dimer%2C%20infinity.mop
|
 |
- |
rw-r--r-- |
1,592 |
Oxalic%20acid%2C%20dimer%20separated.mop
|
 |
- |
rw-r--r-- |
1,621 |
Oxalic%20acid%2C%20dimer.mop
|
 |
- |
rw-r--r-- |
557 |
P2H4%20%28Ref%29.mop
|
 |
- |
rw-r--r-- |
575 |
P2H4%20%28wrong%29.mop
|
 |
- |
rw-r--r-- |
829 |
P2Si2H4.mop
|
 |
- |
rw-r--r-- |
1,289 |
P4O10%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
2,516 |
P4O10%20%28dimer%29.mop
|
 |
- |
rw-r--r-- |
1,287 |
P4O10%20%28good%29.mop
|
 |
- |
rw-r--r-- |
1,806 |
P4O6%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
1,795 |
P4O6%20%28good%29.mop
|
 |
- |
rw-r--r-- |
686 |
P4S3%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
670 |
P4S3%20%28good%29.mop
|
 |
- |
rw-r--r-- |
750 |
P8%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
2,844 |
PCl3%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
2,805 |
PCl3%20%28separated%29.mop
|
 |
- |
rw-r--r-- |
788 |
PCl3%2C%20dimer%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
846 |
PCl3%2C%20dimer%20%28good%29.mop
|
 |
- |
rw-r--r-- |
759 |
PCl6%20%28-%29%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
733 |
PCl6%20%28-%29%20%28good%29.mop
|
 |
- |
rw-r--r-- |
921 |
PH3-FCH3_Full_opt.mop
|
 |
- |
rw-r--r-- |
948 |
PH3-FCH3_PM7_fixed.mop
|
 |
- |
rw-r--r-- |
541 |
PH4%28%2B%29%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
518 |
PH4%28%2B%29%20%28good%29.mop
|
 |
- |
rw-r--r-- |
412 |
PI3.mop
|
 |
- |
rw-r--r-- |
492 |
PO4%283-%29.mop
|
 |
- |
rw-r--r-- |
959 |
POBr3%2C%20dimer%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
931 |
POBr3%2C%20dimer%20%28good%29.mop
|
 |
- |
rw-r--r-- |
2,337 |
Pb%28Cp_star%29%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
2,310 |
Pb%28Cp_star%29%20%28good%29.mop
|
 |
- |
rw-r--r-- |
2,340 |
PbCl2%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
1,668 |
PbCl2%20%28good%29.mop
|
 |
- |
rw-r--r-- |
944 |
Pd%28CO%293%20%28%2B-%29.mop
|
 |
- |
rw-r--r-- |
1,291 |
Pd%28Ox%292.mop
|
 |
- |
rw-r--r-- |
1,029 |
Pd2Cl4%28CO%292.mop
|
 |
- |
rw-r--r-- |
550 |
PdBr4%28%3D%29%20C2v%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
283 |
PdBr4%28%3D%29%20D4h%20%28good%29.mop
|
 |
- |
rw-r--r-- |
1,825 |
PdCl2%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
1,334 |
PdCl2%20%28good%29.mop
|
 |
- |
rw-r--r-- |
550 |
PdCl4%28%3D%29%20C2v%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
283 |
PdCl4%28%3D%29%20D4h%20%28good%29.mop
|
 |
- |
rw-r--r-- |
3,701 |
Phosphorus%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
3,695 |
Phosphorus%20%28good%29.mop
|
 |
- |
rw-r--r-- |
4,724 |
Phosphorus%20black%20layer%20%28bad%202%29.mop
|
 |
- |
rw-r--r-- |
4,720 |
Phosphorus%20black%20layer%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
4,720 |
Phosphorus%20black%20layer%20%28good%29.mop
|
 |
- |
rw-r--r-- |
1,826 |
Phosphorus%2C%20cubic.mop
|
 |
- |
rw-r--r-- |
944 |
Pt%28CO%293%20%28%2B-%29.mop
|
 |
- |
rw-r--r-- |
1,311 |
Pt%28Ox%292.mop
|
 |
- |
rw-r--r-- |
4,738 |
Pt18S36.mop
|
 |
- |
rw-r--r-- |
664 |
Pt2S4.mop
|
 |
- |
rw-r--r-- |
1,791 |
Pt6Br12%20%28Good%29.mop
|
 |
- |
rw-r--r-- |
1,792 |
Pt6Br12%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
1,606 |
Pt6Cl12%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
1,093 |
Pt6Cl12%20%28good%29.mop
|
 |
- |
rw-r--r-- |
3,172 |
PtBr2%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
3,149 |
PtBr2%20%28good%29.mop
|
 |
- |
rw-r--r-- |
548 |
PtBr4%28%3D%29%20C2v%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
283 |
PtBr4%28%3D%29%20D4h%20%28good%29.mop
|
 |
- |
rw-r--r-- |
1,668 |
PtCl2%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
1,669 |
PtCl2%20%28bad2%29.mop
|
 |
- |
rw-r--r-- |
1,636 |
PtCl2%20%28good%29.mop
|
 |
- |
rw-r--r-- |
538 |
PtCl4%20%28Td%29.mop
|
 |
- |
rw-r--r-- |
559 |
PtCl4%20distorted.mop
|
 |
- |
rw-r--r-- |
556 |
PtCl4%28%3D%29%20C2v%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
283 |
PtCl4%28%3D%29%20D4h%20%28good%29.mop
|
 |
- |
rw-r--r-- |
466 |
PtF6%28%3D%29%20%28Good%29.mop
|
 |
- |
rw-r--r-- |
490 |
PtF6%28%3D%29%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
437 |
README.md
|
 |
- |
rw-r--r-- |
1,710 |
Rb%28%2B%29%28H2O%296.mop
|
 |
- |
rw-r--r-- |
1,707 |
Rb%28%2B%29%28H2O%296r.mop
|
 |
- |
rw-r--r-- |
60 |
Rb2.mop
|
 |
- |
rw-r--r-- |
462 |
Rb2C2.mop
|
 |
- |
rw-r--r-- |
367 |
Rb3.mop
|
 |
- |
rw-r--r-- |
596 |
Rb6.mop
|
 |
- |
rw-r--r-- |
1,164 |
Re%28CO%296%20cation%20%28Ref%29.mop
|
 |
- |
rw-r--r-- |
807 |
Re%28CO%296%20cation%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
1,301 |
Re%28CO%296%28%2B%29%20%28good%29.mop
|
 |
- |
rw-r--r-- |
1,330 |
Re%28CO%296%280%29%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
732 |
Re%28iv%29Cl6%28%3D%29%20%28good%29.mop
|
 |
- |
rw-r--r-- |
766 |
Re%28iv%29Cl6%28%3D%29%204A2g.mop
|
 |
- |
rw-r--r-- |
767 |
Re%28iv%29Cl6%28%3D%29%204T1g.mop
|
 |
- |
rw-r--r-- |
880 |
Re2F11%28-%29%20%28Bad%29.mop
|
 |
- |
rw-r--r-- |
1,315 |
Re2F11%28-%29%20%28good%29.mop
|
 |
- |
rw-r--r-- |
1,338 |
Re2F11%280%29%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
1,209 |
Re3Br9.mop
|
 |
- |
rw-r--r-- |
767 |
ReF6%28%3D%29%20%28Oh%29%204T1g.mop
|
 |
- |
rw-r--r-- |
693 |
Rh%28Me%29%20for%20dipole.mop
|
 |
- |
rw-r--r-- |
1,002 |
Rh%28iii%29Cl6H3.mop
|
 |
- |
rw-r--r-- |
6,749 |
Rh-Rh%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
6,726 |
Rh-Rh%20%28good%29.mop
|
 |
- |
rw-r--r-- |
2,760 |
Rh2%28Cp%292CO2Br%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
2,731 |
Rh2%28Cp%292CO2Br%20%28good%29.mop
|
 |
- |
rw-r--r-- |
3,179 |
Rh2C12Br2.mop
|
 |
- |
rw-r--r-- |
866 |
RhI4%28CO%292%28-%29%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
963 |
RhI4%28CO%292%28-%29%20%28bad2%29.mop
|
 |
- |
rw-r--r-- |
931 |
RhI4%28CO%292%28-%29%20%28good%29.mop
|
 |
- |
rw-r--r-- |
3,548 |
RhS4Cl%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
3,356 |
RhS4Cl%20%28good%29.mop
|
 |
- |
rw-r--r-- |
896 |
Rhenium%20hexafluoride%20%28D3h%29.mop
|
 |
- |
rw-r--r-- |
699 |
Rhenium%20hexafluoride%20%28Oh%29.mop
|
 |
- |
rw-r--r-- |
676 |
Rhodium%20pentacarbonyl%20cation%20%28Ref%29.mop
|
 |
- |
rw-r--r-- |
717 |
Rhodium%20pentacarbonyl%20cation%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
558 |
Rhodium%20tetracarbonyl%20anion%20%28Ref%29.mop
|
 |
- |
rw-r--r-- |
604 |
Rhodium%20tetracarbonyl%20anion%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
1,125 |
Ru%28CO%295%20%28C4v%29%20%28Bad%29.mop
|
 |
- |
rw-r--r-- |
1,063 |
Ru%28CO%295%20%28D3h%29%20%28Ref%29.mop
|
 |
- |
rw-r--r-- |
556 |
RuO4.mop
|
 |
- |
rw-r--r-- |
1,142 |
S-O_in_peptide.mop
|
 |
- |
rw-r--r-- |
1,160 |
S-O_in_peptide_strained.mop
|
 |
- |
rw-r--r-- |
2,163 |
S3O9%20%28dimer%29%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
2,113 |
S3O9%20%28dimer%29%20%28good%29.mop
|
 |
- |
rw-r--r-- |
1,083 |
S3O9%20%28monomer%29.mop
|
 |
- |
rw-r--r-- |
558 |
S5.mop
|
 |
- |
rw-r--r-- |
1,214 |
Sb2Cl10%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
1,198 |
Sb2Cl10%20%28good%29.mop
|
 |
- |
rw-r--r-- |
557 |
Sb2H4%2C%20Complex.mop
|
 |
- |
rw-r--r-- |
771 |
SbF6%28-%29%20%28Bad%29.mop
|
 |
- |
rw-r--r-- |
706 |
SbF6%28-%29%20%28Oh%29.mop
|
 |
- |
rw-r--r-- |
838 |
SbI3%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
815 |
SbI3%20%28good%29.mop
|
 |
- |
rw-r--r-- |
2,222 |
SbS3I3%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
2,208 |
SbS3I3%20%28good%29.mop
|
 |
- |
rw-r--r-- |
491 |
Sc%28iii%29F6%283-%29%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
461 |
Sc%28iii%29F6%283-%29%20%28good%29.mop
|
 |
- |
rw-r--r-- |
851 |
Se2Br2%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
852 |
Se2Br2%20%28bad2%29.mop
|
 |
- |
rw-r--r-- |
817 |
Se2Br2%20%28good%29.mop
|
 |
- |
rw-r--r-- |
5,585 |
Se2Cl2%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
3,829 |
Se2Cl2%20%28good%29.mop
|
 |
- |
rw-r--r-- |
848 |
Se3Br10%20%28Bad%29.mop
|
 |
- |
rw-r--r-- |
809 |
Se3Br10%20%28Good%29.mop
|
 |
- |
rw-r--r-- |
570 |
Se3N2%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
539 |
Se3N2%20%28good%29.mop
|
 |
- |
rw-r--r-- |
1,815 |
Se4C10%28%2B%29%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
1,609 |
Se4C10%28%2B%29%20%28good%29.mop
|
 |
- |
rw-r--r-- |
552 |
SeF4%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
530 |
SeF4%20%28good%29.mop
|
 |
- |
rw-r--r-- |
800 |
Si%28OH%294%20%28Flat%29.mop
|
 |
- |
rw-r--r-- |
75 |
Silicon%2C%20anion.mop
|
 |
- |
rw-r--r-- |
78 |
Silicon%2C%20dianion.mop
|
 |
- |
rw-r--r-- |
61 |
Silicon%2C%20dication.mop
|
 |
- |
rw-r--r-- |
1,298 |
Silver%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
1,273 |
Silver%20%28good%29.mop
|
 |
- |
rw-r--r-- |
171 |
Silver%20dication%20%282%2B%29.mop
|
 |
- |
rw-r--r-- |
2,550 |
Silver%20dimer%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
2,724 |
Silver%20dimer%20%28good%29.mop
|
 |
- |
rw-r--r-- |
2,762 |
Silver%20dimer%202%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
2,778 |
Silver%20dimer%203%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
1,623 |
Sn%28iv%29Cl4O2_%28GIMYEH%29%20Ref.mop
|
 |
- |
rw-r--r-- |
1,675 |
Sn%28iv%29Cl4O2_%28GIMYEH%29%20bad.mop
|
 |
- |
rw-r--r-- |
1,885 |
Sn2Cl6O2%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
1,596 |
Sn2Cl6O2%20%28good%29.mop
|
 |
- |
rw-r--r-- |
2,330 |
SnCl2%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
1,601 |
SnCl2%20%28good%29.mop
|
 |
- |
rw-r--r-- |
2,079 |
SnO2%20%28Bad%29.mop
|
 |
- |
rw-r--r-- |
1,475 |
SnO2%20%28Good%29.mop
|
 |
- |
rw-r--r-- |
3,978 |
SnO2%20%28bad%204-coord%29.mop
|
 |
- |
rw-r--r-- |
426 |
Sodium%20iodide%2C%20dimer.mop
|
 |
- |
rw-r--r-- |
837 |
Sr4O4%20%28cube%29.mop
|
 |
- |
rw-r--r-- |
839 |
Sr4O4%20%28flat%29.mop
|
 |
- |
rw-r--r-- |
539 |
Sr5.mop
|
 |
- |
rw-r--r-- |
583 |
SrO-SO3%2C%20for%20Celestine.mop
|
 |
- |
rw-r--r-- |
549 |
SrO-SO3.mop
|
 |
- |
rw-r--r-- |
2,609 |
Strontium%20dichloride%20%28SrCl2%29%28s%29%20r.mop
|
 |
- |
rw-r--r-- |
2,602 |
Strontium%20dichloride%20%28SrCl2%29%28s%29.mop
|
 |
- |
rw-r--r-- |
3,213 |
Ta%20complex%28%2B%29%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
3,175 |
Ta%20complex%28%2B%29%20%28good%29.mop
|
 |
- |
rw-r--r-- |
707 |
Ta%28v%29Cl6%28-%29%20%28Bad%29.mop
|
 |
- |
rw-r--r-- |
677 |
Ta%28v%29Cl6%28-%29%20%28good%29.mop
|
 |
- |
rw-r--r-- |
10,241 |
Ta-C%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
10,220 |
Ta-C%20%28good%29.mop
|
 |
- |
rw-r--r-- |
4,212 |
Ta4F20%2C%20dimer%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
4,193 |
Ta4F20%2C%20dimer%20%28good%29.mop
|
 |
- |
rw-r--r-- |
532 |
Ta5%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
507 |
Ta5%20%28good%29.mop
|
 |
- |
rw-r--r-- |
675 |
Ta7.mop
|
 |
- |
rw-r--r-- |
911 |
Tantalum%20hexafluoride%20%28D3h%29.mop
|
 |
- |
rw-r--r-- |
723 |
Tantalum%20hexafluoride%20%28Oh%29.mop
|
 |
- |
rw-r--r-- |
2,029 |
Tc%28v%29N4O2%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
1,994 |
Tc%28v%29N4O2%20%28good%29.mop
|
 |
- |
rw-r--r-- |
471 |
Tc4.mop
|
 |
- |
rw-r--r-- |
462 |
TcCl3%20%28%2B-%29.mop
|
 |
- |
rw-r--r-- |
3,260 |
TcN4O2%20%28bad%29%20r.mop
|
 |
- |
rw-r--r-- |
3,237 |
TcN4O2%20%28good%29%20r.mop
|
 |
- |
rw-r--r-- |
1,031 |
Te2Cl8%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
1,012 |
Te2Cl8%20%28good%29.mop
|
 |
- |
rw-r--r-- |
1,967 |
Te4Br16.mop
|
 |
- |
rw-r--r-- |
16,467 |
TeCl6%20%28CIFVET%29%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
11,334 |
TeCl6%20%28CIFVET%29%20%28good%29.mop
|
 |
- |
rw-r--r-- |
684 |
TeCl6%28%3D%29%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
661 |
TeCl6%28%3D%29%20%28good%29.mop
|
 |
- |
rw-r--r-- |
2,407 |
TeCl6-TeC3%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
2,381 |
TeCl6-TeC3%20%28good%29.mop
|
 |
- |
rw-r--r-- |
899 |
Technetium%20hexafluoride%20%28D3h%29.mop
|
 |
- |
rw-r--r-- |
711 |
Technetium%20hexafluoride%20%28Oh%29.mop
|
 |
- |
rw-r--r-- |
917 |
Tellurium%20hexafluoride%20%28D3h%29.mop
|
 |
- |
rw-r--r-- |
731 |
Tellurium%20hexafluoride%20%28Oh%29.mop
|
 |
- |
rw-r--r-- |
1,653 |
Tetramethyldiphosphane%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
1,611 |
Tetramethyldiphosphane%20%28good%29.mop
|
 |
- |
rw-r--r-- |
1,115 |
Thallium%20cyclopentadienyl%20%28Ref%29.mop
|
 |
- |
rw-r--r-- |
1,154 |
Thallium%20cyclopentadienyl%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
619 |
Ti2O4.mop
|
 |
- |
rw-r--r-- |
684 |
Ti6%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
634 |
Ti6%20%28good%29.mop
|
 |
- |
rw-r--r-- |
693 |
TiCl6%283-%29.mop
|
 |
- |
rw-r--r-- |
914 |
Titanium%20hexafluoride%20%28D3h%29.mop
|
 |
- |
rw-r--r-- |
730 |
Titanium%20hexafluoride%20%28Oh%29.mop
|
 |
- |
rw-r--r-- |
3,401 |
Titanium%28iv%29_nitrate_%28Ti%28NO3%294%29%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
3,316 |
Titanium%28iv%29_nitrate_%28Ti%28NO3%294%29%20%28good%29.mop
|
 |
- |
rw-r--r-- |
706 |
TlCl4%28-%29%20plus%202Cl%28-%29%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
664 |
TlCl6%283-%29%20%28good%29.mop
|
 |
- |
rw-r--r-- |
699 |
TlF4%28-%29%20plus%202F%28-%29%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
657 |
TlF6%283-%29%20%28good%29.mop
|
 |
- |
rw-r--r-- |
1,540 |
Trimetaphosphoric%20acid%20%28Bad%29.mop
|
 |
- |
rw-r--r-- |
1,289 |
Trimetaphosphoric%20acid%20%28good%29.mop
|
 |
- |
rw-r--r-- |
896 |
Tungsten%20hexafluoride%20%28D3h%29.mop
|
 |
- |
rw-r--r-- |
712 |
Tungsten%20hexafluoride%20%28Oh%29.mop
|
 |
- |
rw-r--r-- |
1,400 |
V-C%20complex%20%28Good%29.mop
|
 |
- |
rw-r--r-- |
1,432 |
V-C%20complex%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
1,731 |
V-S%20complex%20%28bad%202%29.mop
|
 |
- |
rw-r--r-- |
1,904 |
V-S%20complex%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
1,870 |
V-S%20complex%20%28good%29.mop
|
 |
- |
rw-r--r-- |
861 |
W%20%28NANQEY%29%20%28Bad%29.mop
|
 |
- |
rw-r--r-- |
930 |
W%20%28NANQEY%29%20%28Good%29.mop
|
 |
- |
rw-r--r-- |
781 |
W%28CO5%29Cl%28-%29%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
754 |
W%28CO5%29Cl%28-%29%20%28good%29.mop
|
 |
- |
rw-r--r-- |
3,377 |
W%28IV%292Cl4O6%20%28BAKFAU%29%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
3,377 |
W%28IV%292Cl4O6%20%28BAKFAU%29%20%28good%29.mop
|
 |
- |
rw-r--r-- |
2,147 |
W6Br18%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
2,114 |
W6Br18%20%28good%29.mop
|
 |
- |
rw-r--r-- |
2,023 |
WBr4N2%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
2,000 |
WBr4N2%20%28good%29.mop
|
 |
- |
rw-r--r-- |
513 |
WO4%282-%29%20%28Td%29%20%28good%29.mop
|
 |
- |
rw-r--r-- |
569 |
WO4%282-%29%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
620 |
Water%2C%20dimer%2C%20for%20O-O%20repulsion.mop
|
 |
- |
rw-r--r-- |
1,116 |
Water%2C%20tetramer%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
1,070 |
Water%2C%20tetramer.mop
|
 |
- |
rw-r--r-- |
302 |
Xe-CO%2C%20separated.mop
|
 |
- |
rw-r--r-- |
232 |
Xe-H%2C%20separated.mop
|
 |
- |
rw-r--r-- |
302 |
Xe-N2%2C%20separated.mop
|
 |
- |
rw-r--r-- |
239 |
Xe-Na%28%2B%29%2C%20separated.mop
|
 |
- |
rw-r--r-- |
227 |
Xe-Rb%28%2B%29%2C%20separated.mop
|
 |
- |
rw-r--r-- |
455 |
XeO3%20%28%2B-%29.mop
|
 |
- |
rw-r--r-- |
593 |
Xenon%20tetrafluoride%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
542 |
Xenon%20tetrafluoride%20%28good%29.mop
|
 |
- |
rw-r--r-- |
4,020 |
Y2%28Cp%292O2%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
2,749 |
Y2%28Cp%292O2%20%28good%29.mop
|
 |
- |
rw-r--r-- |
528 |
Y5.mop
|
 |
- |
rw-r--r-- |
1,153 |
ZW%203-amino-2-propenoic%20acid.mop
|
 |
- |
rw-r--r-- |
1,717 |
ZW%20m-aminobenzoic%20acid.mop
|
 |
- |
rw-r--r-- |
1,715 |
ZW%20para-Amino%20benzoic%20acid.mop
|
 |
- |
rw-r--r-- |
2,389 |
Ziegler-bihapto%20complex%20gs.mop
|
 |
- |
rw-r--r-- |
2,349 |
Ziegler-monohapto%20complex%20GS.mop
|
 |
- |
rw-r--r-- |
1,241 |
Zn%28CCH%292%20%28%2B-%29.mop
|
 |
- |
rw-r--r-- |
2,681 |
Zn%28H2P3O10%292%28-4%29%20%28Bad%201%29.mop
|
 |
- |
rw-r--r-- |
2,679 |
Zn%28H2P3O10%292%28-4%29%20%28Bad%202%29.mop
|
 |
- |
rw-r--r-- |
2,679 |
Zn%28H2P3O10%292%28-4%29%20%28Bad%203%29.mop
|
 |
- |
rw-r--r-- |
2,678 |
Zn%28H2P3O10%292%28-4%29%20%28Bad%204%29.mop
|
 |
- |
rw-r--r-- |
2,649 |
Zn%28H2P3O10%292%28-4%29%20%28Good%29.mop
|
 |
- |
rw-r--r-- |
1,301 |
Zn14%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
1,283 |
Zn14%20%28good%29.mop
|
 |
- |
rw-r--r-- |
4,441 |
Zn2%20Complex%20%28Bad%29.mop
|
 |
- |
rw-r--r-- |
4,405 |
Zn2%20Complex%20%28Ref%29.mop
|
 |
- |
rw-r--r-- |
942 |
ZnSe8%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
921 |
ZnSe8%20%28good%29.mop
|
 |
- |
rw-r--r-- |
977 |
Zr%28iii%29Cl6H3.mop
|
 |
- |
rw-r--r-- |
640 |
Zr4Cl8.mop
|
 |
- |
rw-r--r-- |
1,145 |
Zr8Cl16%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
486 |
ZrF6%28%3D%29%20%28bad%29.mop
|
 |
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ZrF6%28%3D%29%20%28good%29.mop
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a0_Guanine-cytosine_WC%20r.mop
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a0_Guanine-cytosine_WC.mop
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a0_Guanine-cytosine_WC_well_separated.mop
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a1_Guanine-cytosine_stacked%20r.mop
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a1_Guanine-cytosine_stacked.mop
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a1_Guanine-cytosine_stacked_well_separated.mop
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acetylene.mop
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ammonia%20-%20Flat.mop
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ammonia%20-%20a.mop
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benzene.mop
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bis%28Cyclo-octadiene%29-silver%28i%29%20%28bad%29.mop
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bis%28Cyclo-octadiene%29-silver%28i%29%20%28good%29.mop
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bis%28acetato%29-di-silver%28i%29.mop
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bis%28mu-2-Aminomethylnitrosolate%29-di-silver%28i%29%20%28KUXWAB%29%20%28bad%202%29.mop
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bis%28mu-2-Aminomethylnitrosolate%29-di-silver%28i%29%20%28KUXWAB%29%20%28bad%203%29.mop
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bis%28mu-2-Aminomethylnitrosolate%29-di-silver%28i%29%20%28KUXWAB%29%20%28bad%29.mop
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bis%28mu-2-Aminomethylnitrosolate%29-di-silver%28i%29%20%28KUXWAB%29%20%28good%29.mop
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bug_10.mop
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butanee.mop
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butaneg.mop
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c4h4clir.mop
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calcium%20oxide%2C%20dimer%2C%20for%20Ca%20-%20Ca%203p0.mop
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calcium%20oxide%2C%20dimer%2C%20for%20Ca%20-%20O%203p0.mop
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ch3ohrot.mop
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copper%28ii%29%20cis-diglycine%20%28bad%29.mop
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copper%28ii%29%20cis-diglycine.mop
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core-core_Ag%20-%20Ag%20far.mop
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core-core_Ag%20-%20Ag%20near.mop
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core-core_Ag%20-%20B%20far.mop
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core-core_Ag%20-%20B%20near.mop
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core-core_Ag%20-%20Br%20far.mop
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284 |
core-core_Ag%20-%20Br%20near.mop
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285 |
core-core_Ag%20-%20C%20far.mop
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283 |
core-core_Ag%20-%20C%20near.mop
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286 |
core-core_Ag%20-%20Cl%20far.mop
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core-core_Ag%20-%20Cl%20near.mop
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core-core_Ag%20-%20Cr%20far.mop
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core-core_Ag%20-%20Cr%20near.mop
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core-core_Ag%20-%20F%20far.mop
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core-core_Ag%20-%20F%20near.mop
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core-core_Ag%20-%20H%20far.mop
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282 |
core-core_Ag%20-%20H%20near.mop
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core-core_Ag%20-%20I%20far.mop
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283 |
core-core_Ag%20-%20I%20near.mop
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core-core_Ag%20-%20N%20far.mop
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284 |
core-core_Ag%20-%20N%20near.mop
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286 |
core-core_Ag%20-%20O%20far.mop
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283 |
core-core_Ag%20-%20O%20near.mop
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core-core_Ag%20-%20Pt%20far.mop
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core-core_Ag%20-%20Pt%20near.mop
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281 |
core-core_Ag%20-%20S%20far.mop
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core-core_Ag%20-%20S%20near.mop
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293 |
core-core_Al%20-%20Al%20far.mop
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290 |
core-core_Al%20-%20Al%20near.mop
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294 |
core-core_Al%20-%20As%20far.mop
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290 |
core-core_Al%20-%20As%20near.mop
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300 |
core-core_Al%20-%20Be%20far.mop
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284 |
core-core_Al%20-%20Be%20near.mop
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288 |
core-core_Al%20-%20Br%20far.mop
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295 |
core-core_Al%20-%20Br%20near.mop
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core-core_Al%20-%20C%20far.mop
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core-core_Al%20-%20C%20near.mop
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core-core_Al%20-%20Cl%20far.mop
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core-core_Al%20-%20Cl%20near.mop
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core-core_Al%20-%20Cu%20far.mop
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core-core_Al%20-%20Cu%20near.mop
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core-core_Al%20-%20F%20far.mop
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294 |
core-core_Al%20-%20F%20near.mop
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core-core_Al%20-%20H%20far.mop
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core-core_Al%20-%20H%20near.mop
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core-core_Al%20-%20I%20far.mop
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290 |
core-core_Al%20-%20I%20near.mop
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287 |
core-core_Al%20-%20N%20far.mop
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294 |
core-core_Al%20-%20N%20near.mop
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293 |
core-core_Al%20-%20O%20far.mop
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core-core_Al%20-%20O%20near.mop
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core-core_Al%20-%20P%20far.mop
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core-core_Al%20-%20P%20near.mop
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core-core_Al%20-%20S%20far.mop
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core-core_Al%20-%20S%20near.mop
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core-core_Al%20-%20Sb%20far.mop
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core-core_Al%20-%20Sb%20near.mop
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core-core_Al%20-%20Si%20far.mop
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core-core_Al%20-%20Si%20near.mop
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core-core_Al%20-%20Sn%20far.mop
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core-core_Al%20-%20Tl%20far.mop
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core-core_As%20-%20As%20near.mop
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core-core_As%20-%20Br%20far.mop
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core-core_As%20-%20Br%20near.mop
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core-core_As%20-%20Cl%20far.mop
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core-core_As%20-%20Cl%20near.mop
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core-core_As%20-%20F%20far.mop
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core-core_As%20-%20F%20near.mop
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core-core_As%20-%20H%20far.mop
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core-core_As%20-%20I%20far.mop
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core-core_As%20-%20I%20near.mop
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core-core_As%20-%20O%20far.mop
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core-core_As%20-%20S%20far.mop
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core-core_As%20-%20Se%20far.mop
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core-core_Au%20-%20Au%20far.mop
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core-core_Au%20-%20Au%20near.mop
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core-core_Au%20-%20Br%20far.mop
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core-core_Au%20-%20Br%20near.mop
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core-core_Au%20-%20C%20far.mop
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core-core_Au%20-%20C%20near.mop
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core-core_Au%20-%20Cl%20far.mop
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core-core_Au%20-%20Cl%20near.mop
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core-core_Au%20-%20F%20far.mop
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core-core_Au%20-%20F%20near.mop
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core-core_Au%20-%20H%20far.mop
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core-core_Au%20-%20H%20near.mop
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core-core_Au%20-%20I%20far.mop
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core-core_Au%20-%20I%20near.mop
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core-core_Au%20-%20N%20far.mop
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core-core_Au%20-%20N%20near.mop
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core-core_Au%20-%20O%20far.mop
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core-core_Au%20-%20O%20near.mop
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core-core_Au%20-%20P%20far.mop
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core-core_Au%20-%20Se%20far.mop
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core-core_B%20-%20Cl%20far.mop
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core-core_B%20-%20O%20far.mop
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core-core_B%20-%20S%20far.mop
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core-core_Ba%20-%20Al%20far.mop
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core-core_Ba%20-%20Al%20near.mop
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core-core_Ba%20-%20Ba%20far.mop
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core-core_Ba%20-%20Ba%20near.mop
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core-core_Ba%20-%20Br%20far.mop
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core-core_Ba%20-%20C%20far.mop
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core-core_Ba%20-%20C%20near.mop
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core-core_Ba%20-%20Ca%20far.mop
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core-core_Ba%20-%20Ca%20near.mop
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core-core_Ba%20-%20Cl%20far.mop
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core-core_Ba%20-%20Cl%20near.mop
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core-core_Ba%20-%20F%20far.mop
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core-core_Ba%20-%20F%20near.mop
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core-core_Ba%20-%20H%20far.mop
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core-core_Ba%20-%20H%20near.mop
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core-core_Ba%20-%20I%20far.mop
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core-core_Ba%20-%20Mg%20far.mop
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core-core_Ba%20-%20N%20far.mop
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core-core_Ba%20-%20O%20far.mop
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core-core_Ba%20-%20P%20far.mop
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core-core_Ba%20-%20S%20far.mop
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core-core_Ba%20-%20S%20near.mop
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core-core_Ba%20-%20Sb%20far.mop
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core-core_Ba%20-%20Sb%20near.mop
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core-core_Ba%20-%20Si%20far.mop
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core-core_Ba%20-%20Si%20near.mop
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core-core_Ba%20-%20Ti%20far.mop
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core-core_Ba%20-%20W%20far.mop
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core-core_Ba%20-%20W%20near.mop
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core-core_Be%20-%20Be%20near%20slope.mop
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core-core_K%20-%20Co%20far.mop
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rw-r--r-- |
288 |
core-core_Pd%20-%20I%20near.mop
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rw-r--r-- |
286 |
core-core_Pd%20-%20N%20far.mop
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286 |
core-core_Pd%20-%20O%20far.mop
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293 |
core-core_Pd%20-%20O%20near.mop
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291 |
core-core_Pd%20-%20Pd%20far.mop
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283 |
core-core_Pd%20-%20Pd%20near.mop
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291 |
core-core_Pd%20-%20S%20far.mop
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289 |
core-core_Pd%20-%20S%20near.mop
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rw-r--r-- |
287 |
core-core_Pt%20-%20Br%20far.mop
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289 |
core-core_Pt%20-%20Br%20near.mop
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rw-r--r-- |
286 |
core-core_Pt%20-%20C%20far.mop
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rw-r--r-- |
288 |
core-core_Pt%20-%20C%20near.mop
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rw-r--r-- |
293 |
core-core_Pt%20-%20Cl%20far.mop
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rw-r--r-- |
290 |
core-core_Pt%20-%20Cl%20near.mop
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rw-r--r-- |
286 |
core-core_Pt%20-%20F%20far.mop
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rw-r--r-- |
293 |
core-core_Pt%20-%20F%20near.mop
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rw-r--r-- |
286 |
core-core_Pt%20-%20H%20far.mop
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rw-r--r-- |
288 |
core-core_Pt%20-%20H%20near.mop
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rw-r--r-- |
286 |
core-core_Pt%20-%20I%20far.mop
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rw-r--r-- |
293 |
core-core_Pt%20-%20I%20near.mop
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rw-r--r-- |
286 |
core-core_Pt%20-%20O%20far.mop
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288 |
core-core_Pt%20-%20O%20near.mop
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293 |
core-core_Pt%20-%20Pt%20far.mop
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290 |
core-core_Pt%20-%20Pt%20near.mop
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292 |
core-core_Pt%20-%20S%20far.mop
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289 |
core-core_Pt%20-%20S%20near.mop
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282 |
core-core_Rb%20-%20Au%20far.mop
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283 |
core-core_Rb%20-%20Au%20near.mop
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287 |
core-core_Rb%20-%20B%20far.mop
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288 |
core-core_Rb%20-%20B%20near.mop
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292 |
core-core_Rb%20-%20Bi%20far.mop
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285 |
core-core_Rb%20-%20Bi%20near.mop
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292 |
core-core_Rb%20-%20Br%20far.mop
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rw-r--r-- |
290 |
core-core_Rb%20-%20Br%20near.mop
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rw-r--r-- |
292 |
core-core_Rb%20-%20C%20far.mop
|
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rw-r--r-- |
289 |
core-core_Rb%20-%20C%20near.mop
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292 |
core-core_Rb%20-%20Cl%20far.mop
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289 |
core-core_Rb%20-%20Cl%20near.mop
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288 |
core-core_Rb%20-%20Cr%20far.mop
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290 |
core-core_Rb%20-%20Cr%20near.mop
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286 |
core-core_Rb%20-%20F%20far.mop
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rw-r--r-- |
287 |
core-core_Rb%20-%20F%20near.mop
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- |
rw-r--r-- |
286 |
core-core_Rb%20-%20H%20far.mop
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rw-r--r-- |
288 |
core-core_Rb%20-%20H%20near.mop
|
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- |
rw-r--r-- |
291 |
core-core_Rb%20-%20I%20far.mop
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rw-r--r-- |
288 |
core-core_Rb%20-%20I%20near.mop
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rw-r--r-- |
288 |
core-core_Rb%20-%20In%20far.mop
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290 |
core-core_Rb%20-%20In%20near.mop
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rw-r--r-- |
287 |
core-core_Rb%20-%20Mo%20far.mop
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rw-r--r-- |
288 |
core-core_Rb%20-%20Mo%20near.mop
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- |
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292 |
core-core_Rb%20-%20N%20far.mop
|
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rw-r--r-- |
289 |
core-core_Rb%20-%20N%20near.mop
|
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- |
rw-r--r-- |
291 |
core-core_Rb%20-%20O%20far.mop
|
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- |
rw-r--r-- |
288 |
core-core_Rb%20-%20O%20near.mop
|
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- |
rw-r--r-- |
286 |
core-core_Rb%20-%20P%20far.mop
|
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rw-r--r-- |
288 |
core-core_Rb%20-%20P%20near.mop
|
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- |
rw-r--r-- |
300 |
core-core_Rb%20-%20Rb%20far.mop
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290 |
core-core_Rb%20-%20Rb%20near.mop
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- |
rw-r--r-- |
291 |
core-core_Rb%20-%20S%20far.mop
|
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- |
rw-r--r-- |
288 |
core-core_Rb%20-%20S%20near.mop
|
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- |
rw-r--r-- |
288 |
core-core_Rb%20-%20Tl%20far.mop
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- |
rw-r--r-- |
290 |
core-core_Rb%20-%20Tl%20near.mop
|
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- |
rw-r--r-- |
287 |
core-core_Rb%20-%20V%20far.mop
|
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- |
rw-r--r-- |
289 |
core-core_Rb%20-%20V%20near.mop
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- |
rw-r--r-- |
291 |
core-core_Rb%20-%20Y%20far.mop
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- |
rw-r--r-- |
287 |
core-core_Rb%20-%20Y%20near.mop
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rw-r--r-- |
287 |
core-core_Re%20-%20Br%20far.mop
|
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- |
rw-r--r-- |
284 |
core-core_Re%20-%20Br%20near.mop
|
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- |
rw-r--r-- |
280 |
core-core_Re%20-%20C%20far.mop
|
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- |
rw-r--r-- |
282 |
core-core_Re%20-%20C%20near.mop
|
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- |
rw-r--r-- |
287 |
core-core_Re%20-%20Cl%20far.mop
|
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- |
rw-r--r-- |
285 |
core-core_Re%20-%20Cl%20near.mop
|
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- |
rw-r--r-- |
280 |
core-core_Re%20-%20F%20far.mop
|
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- |
rw-r--r-- |
282 |
core-core_Re%20-%20F%20near.mop
|
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- |
rw-r--r-- |
272 |
core-core_Re%20-%20I%20far.mop
|
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- |
rw-r--r-- |
288 |
core-core_Re%20-%20I%20near.mop
|
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- |
rw-r--r-- |
280 |
core-core_Re%20-%20N%20far.mop
|
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- |
rw-r--r-- |
282 |
core-core_Re%20-%20N%20near.mop
|
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- |
rw-r--r-- |
287 |
core-core_Re%20-%20O%20far.mop
|
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- |
rw-r--r-- |
284 |
core-core_Re%20-%20O%20near.mop
|
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- |
rw-r--r-- |
287 |
core-core_Re%20-%20Re%20far.mop
|
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- |
rw-r--r-- |
284 |
core-core_Re%20-%20Re%20near.mop
|
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- |
rw-r--r-- |
287 |
core-core_Rh%20-%20Br%20far.mop
|
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- |
rw-r--r-- |
289 |
core-core_Rh%20-%20Br%20near.mop
|
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- |
rw-r--r-- |
286 |
core-core_Rh%20-%20C%20far.mop
|
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- |
rw-r--r-- |
287 |
core-core_Rh%20-%20C%20near.mop
|
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- |
rw-r--r-- |
292 |
core-core_Rh%20-%20Cl%20far.mop
|
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- |
rw-r--r-- |
290 |
core-core_Rh%20-%20Cl%20near.mop
|
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- |
rw-r--r-- |
286 |
core-core_Rh%20-%20F%20far.mop
|
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- |
rw-r--r-- |
294 |
core-core_Rh%20-%20F%20near.mop
|
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- |
rw-r--r-- |
292 |
core-core_Rh%20-%20I%20far.mop
|
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- |
rw-r--r-- |
289 |
core-core_Rh%20-%20I%20near.mop
|
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- |
rw-r--r-- |
292 |
core-core_Rh%20-%20O%20far.mop
|
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- |
rw-r--r-- |
290 |
core-core_Rh%20-%20O%20near.mop
|
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- |
rw-r--r-- |
293 |
core-core_Rh%20-%20Rh%20far.mop
|
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- |
rw-r--r-- |
291 |
core-core_Rh%20-%20Rh%20near.mop
|
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- |
rw-r--r-- |
286 |
core-core_Rh%20-%20S%20far.mop
|
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- |
rw-r--r-- |
288 |
core-core_Rh%20-%20S%20near.mop
|
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- |
rw-r--r-- |
287 |
core-core_Ru%20-%20Br%20far.mop
|
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- |
rw-r--r-- |
285 |
core-core_Ru%20-%20Br%20near.mop
|
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- |
rw-r--r-- |
286 |
core-core_Ru%20-%20Cl%20far.mop
|
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- |
rw-r--r-- |
284 |
core-core_Ru%20-%20Cl%20near.mop
|
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- |
rw-r--r-- |
280 |
core-core_Ru%20-%20F%20far.mop
|
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- |
rw-r--r-- |
282 |
core-core_Ru%20-%20F%20near.mop
|
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- |
rw-r--r-- |
280 |
core-core_Ru%20-%20H%20far.mop
|
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- |
rw-r--r-- |
282 |
core-core_Ru%20-%20H%20near.mop
|
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- |
rw-r--r-- |
286 |
core-core_Ru%20-%20O%20far.mop
|
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- |
rw-r--r-- |
283 |
core-core_Ru%20-%20O%20near.mop
|
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- |
rw-r--r-- |
287 |
core-core_Ru%20-%20Ru%20far.mop
|
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- |
rw-r--r-- |
284 |
core-core_Ru%20-%20Ru%20near.mop
|
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- |
rw-r--r-- |
281 |
core-core_Ru%20-%20Sb%20far.mop
|
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- |
rw-r--r-- |
283 |
core-core_Ru%20-%20Sb%20near.mop
|
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- |
rw-r--r-- |
278 |
core-core_S%20-%20Br%20far.mop
|
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- |
rw-r--r-- |
268 |
core-core_S%20-%20Br%20near.mop
|
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- |
rw-r--r-- |
285 |
core-core_S%20-%20I%20far.mop
|
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- |
rw-r--r-- |
287 |
core-core_S%20-%20I%20near.mop
|
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- |
rw-r--r-- |
130 |
core-core_S%20-%20S%20far.mop
|
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- |
rw-r--r-- |
124 |
core-core_S%20-%20S%20near.mop
|
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- |
rw-r--r-- |
282 |
core-core_Sb%20-%20Br%20far.mop
|
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- |
rw-r--r-- |
283 |
core-core_Sb%20-%20Br%20near.mop
|
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- |
rw-r--r-- |
280 |
core-core_Sb%20-%20C%20far.mop
|
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- |
rw-r--r-- |
282 |
core-core_Sb%20-%20C%20near.mop
|
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- |
rw-r--r-- |
282 |
core-core_Sb%20-%20Cl%20far.mop
|
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- |
rw-r--r-- |
288 |
core-core_Sb%20-%20Cl%20near.mop
|
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- |
rw-r--r-- |
281 |
core-core_Sb%20-%20F%20far.mop
|
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- |
rw-r--r-- |
283 |
core-core_Sb%20-%20F%20near.mop
|
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- |
rw-r--r-- |
281 |
core-core_Sb%20-%20H%20far.mop
|
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- |
rw-r--r-- |
282 |
core-core_Sb%20-%20H%20near.mop
|
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- |
rw-r--r-- |
281 |
core-core_Sb%20-%20I%20far.mop
|
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- |
rw-r--r-- |
283 |
core-core_Sb%20-%20I%20near.mop
|
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- |
rw-r--r-- |
281 |
core-core_Sb%20-%20N%20far.mop
|
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- |
rw-r--r-- |
282 |
core-core_Sb%20-%20N%20near.mop
|
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- |
rw-r--r-- |
282 |
core-core_Sb%20-%20O%20far.mop
|
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- |
rw-r--r-- |
283 |
core-core_Sb%20-%20O%20near.mop
|
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- |
rw-r--r-- |
287 |
core-core_Sb%20-%20S%20far.mop
|
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- |
rw-r--r-- |
283 |
core-core_Sb%20-%20S%20near.mop
|
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- |
rw-r--r-- |
288 |
core-core_Sb%20-%20Sb%20far.mop
|
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- |
rw-r--r-- |
284 |
core-core_Sb%20-%20Sb%20near.mop
|
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- |
rw-r--r-- |
282 |
core-core_Sc%20-%20Br%20far.mop
|
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- |
rw-r--r-- |
283 |
core-core_Sc%20-%20Br%20near.mop
|
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- |
rw-r--r-- |
280 |
core-core_Sc%20-%20C%20far.mop
|
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- |
rw-r--r-- |
283 |
core-core_Sc%20-%20C%20near.mop
|
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- |
rw-r--r-- |
281 |
core-core_Sc%20-%20Cl%20far.mop
|
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- |
rw-r--r-- |
283 |
core-core_Sc%20-%20Cl%20near.mop
|
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- |
rw-r--r-- |
281 |
core-core_Sc%20-%20F%20far.mop
|
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- |
rw-r--r-- |
282 |
core-core_Sc%20-%20F%20near.mop
|
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- |
rw-r--r-- |
275 |
core-core_Sc%20-%20I%20far.mop
|
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- |
rw-r--r-- |
280 |
core-core_Sc%20-%20I%20near.mop
|
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- |
rw-r--r-- |
281 |
core-core_Sc%20-%20O%20far.mop
|
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- |
rw-r--r-- |
282 |
core-core_Sc%20-%20O%20near.mop
|
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- |
rw-r--r-- |
280 |
core-core_Sc%20-%20P%20far.mop
|
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- |
rw-r--r-- |
282 |
core-core_Sc%20-%20P%20near.mop
|
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- |
rw-r--r-- |
315 |
core-core_Sc%20-%20Sc%20near%20slope.mop
|
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- |
rw-r--r-- |
283 |
core-core_Sc%20-%20Sc%20near.mop
|
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- |
rw-r--r-- |
281 |
core-core_Sc%20-%20Si%20far.mop
|
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- |
rw-r--r-- |
283 |
core-core_Sc%20-%20Si%20near.mop
|
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- |
rw-r--r-- |
288 |
core-core_Se%20-%20Br%20far.mop
|
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- |
rw-r--r-- |
289 |
core-core_Se%20-%20Br%20near.mop
|
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- |
rw-r--r-- |
288 |
core-core_Se%20-%20Cl%20far.mop
|
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- |
rw-r--r-- |
289 |
core-core_Se%20-%20Cl%20near.mop
|
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- |
rw-r--r-- |
286 |
core-core_Se%20-%20F%20far.mop
|
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- |
rw-r--r-- |
288 |
core-core_Se%20-%20F%20near.mop
|
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- |
rw-r--r-- |
291 |
core-core_Se%20-%20H%20far.mop
|
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- |
rw-r--r-- |
288 |
core-core_Se%20-%20H%20near.mop
|
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- |
rw-r--r-- |
286 |
core-core_Se%20-%20I%20far.mop
|
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- |
rw-r--r-- |
288 |
core-core_Se%20-%20I%20near.mop
|
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- |
rw-r--r-- |
287 |
core-core_Se%20-%20N%20far.mop
|
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- |
rw-r--r-- |
288 |
core-core_Se%20-%20N%20near.mop
|
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- |
rw-r--r-- |
286 |
core-core_Se%20-%20O%20far.mop
|
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- |
rw-r--r-- |
293 |
core-core_Se%20-%20O%20near.mop
|
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- |
rw-r--r-- |
287 |
core-core_Se%20-%20Se%20far.mop
|
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- |
rw-r--r-- |
289 |
core-core_Se%20-%20Se%20near.mop
|
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- |
rw-r--r-- |
287 |
core-core_Si%20-%20C%20far.mop
|
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- |
rw-r--r-- |
289 |
core-core_Si%20-%20C%20near.mop
|
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- |
rw-r--r-- |
287 |
core-core_Si%20-%20Cl%20far.mop
|
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- |
rw-r--r-- |
289 |
core-core_Si%20-%20Cl%20near.mop
|
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- |
rw-r--r-- |
289 |
core-core_Si%20-%20H%20far.mop
|
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- |
rw-r--r-- |
284 |
core-core_Si%20-%20H%20near.mop
|
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- |
rw-r--r-- |
293 |
core-core_Si%20-%20I%20far.mop
|
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- |
rw-r--r-- |
290 |
core-core_Si%20-%20I%20near.mop
|
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- |
rw-r--r-- |
291 |
core-core_Si%20-%20N%20far.mop
|
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- |
rw-r--r-- |
288 |
core-core_Si%20-%20N%20near.mop
|
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- |
rw-r--r-- |
287 |
core-core_Si%20-%20O%20far.mop
|
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- |
rw-r--r-- |
294 |
core-core_Si%20-%20O%20near.mop
|
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- |
rw-r--r-- |
288 |
core-core_Si%20-%20Si%20far.mop
|
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- |
rw-r--r-- |
289 |
core-core_Si%20-%20Si%20near.mop
|
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- |
rw-r--r-- |
287 |
core-core_Sn%20-%20Br%20far.mop
|
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- |
rw-r--r-- |
284 |
core-core_Sn%20-%20Br%20near.mop
|
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- |
rw-r--r-- |
280 |
core-core_Sn%20-%20C%20far.mop
|
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- |
rw-r--r-- |
282 |
core-core_Sn%20-%20C%20near.mop
|
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- |
rw-r--r-- |
281 |
core-core_Sn%20-%20Cl%20far.mop
|
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- |
rw-r--r-- |
288 |
core-core_Sn%20-%20Cl%20near.mop
|
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- |
rw-r--r-- |
286 |
core-core_Sn%20-%20F%20far.mop
|
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- |
rw-r--r-- |
283 |
core-core_Sn%20-%20F%20near.mop
|
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- |
rw-r--r-- |
286 |
core-core_Sn%20-%20I%20far.mop
|
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- |
rw-r--r-- |
283 |
core-core_Sn%20-%20I%20near.mop
|
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- |
rw-r--r-- |
286 |
core-core_Sn%20-%20O%20far.mop
|
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- |
rw-r--r-- |
284 |
core-core_Sn%20-%20O%20near.mop
|
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- |
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core-core_V%20-%20Pb%20far.mop
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core-core_W%20-%20Br%20far.mop
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core-core_W%20-%20Br%20near.mop
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core-core_W%20-%20Cl%20far.mop
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core-core_W%20-%20W%20far.mop
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core-core_Xe%20-%20F%20far.mop
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core-core_Xe%20-%20O%20near.mop
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core-core_Xe%20-%20Xe%20far%20don%27t%20use%20.mop
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core-core_Xe%20-%20Xe%20near%20slope.mop
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core-core_Zn%20-%20As%20far.mop
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core-core_Zn%20-%20C%20near.mop
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core-core_Zn%20-%20Ca%20far.mop
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core-core_Zn%20-%20Ca%20near.mop
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core-core_Zn%20-%20Cl%20near.mop
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core-core_Zn%20-%20Cr%20far.mop
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core-core_Zn%20-%20Cr%20near.mop
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core-core_Zn%20-%20F%20far.mop
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core-core_Zn%20-%20F%20near.mop
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core-core_Zn%20-%20H%20far.mop
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core-core_Zn%20-%20H%20near.mop
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core-core_Zn%20-%20I%20far.mop
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core-core_Zn%20-%20I%20near.mop
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core-core_Zn%20-%20O%20far.mop
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core-core_Zn%20-%20O%20near.mop
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core-core_Zn%20-%20P%20far.mop
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core-core_Zn%20-%20Pb%20far.mop
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core-core_Zn%20-%20S%20far.mop
|
 |
- |
rw-r--r-- |
289 |
core-core_Zn%20-%20S%20near.mop
|
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- |
rw-r--r-- |
287 |
core-core_Zn%20-%20Se%20far.mop
|
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- |
rw-r--r-- |
294 |
core-core_Zn%20-%20Se%20near.mop
|
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- |
rw-r--r-- |
293 |
core-core_Zn%20-%20Si%20far.mop
|
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- |
rw-r--r-- |
290 |
core-core_Zn%20-%20Si%20near.mop
|
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- |
rw-r--r-- |
286 |
core-core_Zn%20-%20V%20far.mop
|
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- |
rw-r--r-- |
288 |
core-core_Zn%20-%20V%20near.mop
|
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- |
rw-r--r-- |
291 |
core-core_Zn%20-%20W%20far.mop
|
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- |
rw-r--r-- |
288 |
core-core_Zn%20-%20W%20near.mop
|
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- |
rw-r--r-- |
293 |
core-core_Zn%20-%20Zn%20far.mop
|
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- |
rw-r--r-- |
290 |
core-core_Zn%20-%20Zn%20near.mop
|
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- |
rw-r--r-- |
287 |
core-core_Zr%20-%20Br%20far.mop
|
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- |
rw-r--r-- |
295 |
core-core_Zr%20-%20Br%20near.mop
|
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- |
rw-r--r-- |
288 |
core-core_Zr%20-%20Cl%20far.mop
|
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- |
rw-r--r-- |
290 |
core-core_Zr%20-%20Cl%20near.mop
|
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- |
rw-r--r-- |
292 |
core-core_Zr%20-%20F%20far.mop
|
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- |
rw-r--r-- |
289 |
core-core_Zr%20-%20F%20near.mop
|
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- |
rw-r--r-- |
293 |
core-core_Zr%20-%20I%20far.mop
|
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- |
rw-r--r-- |
290 |
core-core_Zr%20-%20I%20near.mop
|
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- |
rw-r--r-- |
287 |
core-core_Zr%20-%20O%20far.mop
|
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- |
rw-r--r-- |
290 |
core-core_Zr%20-%20O%20near.mop
|
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- |
rw-r--r-- |
292 |
core-core_Zr%20-%20S%20far.mop
|
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- |
rw-r--r-- |
288 |
core-core_Zr%20-%20S%20near.mop
|
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- |
rw-r--r-- |
293 |
core-core_Zr%20-%20Si%20far.mop
|
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- |
rw-r--r-- |
290 |
core-core_Zr%20-%20Si%20near.mop
|
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- |
rw-r--r-- |
286 |
core-core_Zr%20-%20W%20far.mop
|
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- |
rw-r--r-- |
289 |
core-core_Zr%20-%20W%20near.mop
|
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- |
rw-r--r-- |
292 |
core-core_Zr%20-%20Zr%20far.mop
|
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- |
rw-r--r-- |
290 |
core-core_Zr%20-%20Zr%20near.mop
|
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- |
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151 |
core_Ag_0_0_0.mop
|
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- |
rw-r--r-- |
208 |
core_Ag_2_0_6.mop
|
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- |
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208 |
core_Al_0_1_2.mop
|
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- |
rw-r--r-- |
215 |
core_Al_0_1p5_1p5.mop
|
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206 |
core_Al_0_6_0.mop
|
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- |
rw-r--r-- |
222 |
core_Al_0p5_2p0_1p0.mop
|
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- |
rw-r--r-- |
220 |
core_Al_0p7_3p7_1p5.mop
|
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- |
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210 |
core_As_2_1_10.mop
|
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- |
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208 |
core_Au_2_0_10.mop
|
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- |
rw-r--r-- |
207 |
core_Ba_0_0_0.mop
|
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- |
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207 |
core_Ba_0_2_0.mop
|
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- |
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211 |
core_Ca_0_6_0.mop
|
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207 |
core_Ca_1_1_0.mop
|
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209 |
core_Ca_2_2_0.mop
|
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136 |
core_Co_0p9_0p5_7p7.mop
|
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120 |
core_Co_2_1_8.mop
|
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- |
rw-r--r-- |
132 |
core_Co_2_6_10.mop
|
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- |
rw-r--r-- |
131 |
core_Cr.mop
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140 |
core_Cr_0_0_0.mop
|
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- |
rw-r--r-- |
112 |
core_Cr_0_0_0_a.mop
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- |
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112 |
core_Cr_0_0_0_b.mop
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- |
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123 |
core_Cr_0_0_7.mop
|
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- |
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121 |
core_Cr_0_0_9.mop
|
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135 |
core_Cr_2_0_9.mop
|
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- |
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122 |
core_Cr_anion.mop
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194 |
core_Cs_0_0_0.mop
|
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- |
rw-r--r-- |
207 |
core_Cs_1_1_0.mop
|
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- |
rw-r--r-- |
208 |
core_Cu_0_0_9.mop
|
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- |
rw-r--r-- |
209 |
core_Cu_1_1_10.mop
|
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- |
rw-r--r-- |
210 |
core_Cu_2_6_10.mop
|
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- |
rw-r--r-- |
125 |
core_Fe_0_0_8%20%28good%29.mop
|
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- |
rw-r--r-- |
150 |
core_Fe_1_2_5%20%28bad%29.mop
|
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- |
rw-r--r-- |
136 |
core_Fe_2_6_10.mop
|
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- |
rw-r--r-- |
113 |
core_Ge_0_5.mop
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rw-r--r-- |
203 |
core_Hf_1_0_3.mop
|
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- |
rw-r--r-- |
117 |
core_I_2_4_0.mop
|
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- |
rw-r--r-- |
117 |
core_I_2_6_0.mop
|
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- |
rw-r--r-- |
159 |
core_Ir_0_0_0.mop
|
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- |
rw-r--r-- |
123 |
core_Ir_0_0_8.mop
|
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- |
rw-r--r-- |
127 |
core_Ir_0_0_9.mop
|
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- |
rw-r--r-- |
126 |
core_Ir_1_0_6.mop
|
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- |
rw-r--r-- |
129 |
core_Ir_1_2_6.mop
|
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- |
rw-r--r-- |
132 |
core_Ir_2_0_10.mop
|
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- |
rw-r--r-- |
119 |
core_Ir_2_0_7.mop
|
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- |
rw-r--r-- |
122 |
core_Ir_2_6_10.mop
|
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- |
rw-r--r-- |
125 |
core_K_1_1_0.mop
|
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- |
rw-r--r-- |
207 |
core_K_2_6_0.mop
|
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- |
rw-r--r-- |
114 |
core_Li_1_3.mop
|
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- |
rw-r--r-- |
211 |
core_Lu_2_6_10.mop
|
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- |
rw-r--r-- |
200 |
core_Mg_0_2.mop
|
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- |
rw-r--r-- |
191 |
core_Mg_0_3.mop
|
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- |
rw-r--r-- |
200 |
core_Mg_0_6.mop
|
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- |
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200 |
core_Mg_1_3.mop
|
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- |
rw-r--r-- |
208 |
core_Mo_0_0_2.mop
|
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- |
rw-r--r-- |
208 |
core_Nb_1_3_4.mop
|
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- |
rw-r--r-- |
111 |
core_Os_0_3_5.mop
|
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- |
rw-r--r-- |
139 |
core_Os_1_0_7_%28fn%29.mop
|
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- |
rw-r--r-- |
110 |
core_Os_2_0_6.mop
|
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- |
rw-r--r-- |
114 |
core_Os_2_0_6_%28Ref%29.mop
|
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- |
rw-r--r-- |
589 |
core_P6.mop
|
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- |
rw-r--r-- |
201 |
core_Pb_1_0.mop
|
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- |
rw-r--r-- |
200 |
core_Pb_2_6.mop
|
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- |
rw-r--r-- |
209 |
core_Pt_2_0_10.mop
|
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- |
rw-r--r-- |
208 |
core_Pt_2_0_2.mop
|
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- |
rw-r--r-- |
200 |
core_Rb_0_1.mop
|
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- |
rw-r--r-- |
200 |
core_Rb_0_2.mop
|
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- |
rw-r--r-- |
192 |
core_Rb_1_1.mop
|
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- |
rw-r--r-- |
123 |
core_Re_2_6_10.mop
|
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- |
rw-r--r-- |
125 |
core_Rh_0_0_0.mop
|
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- |
rw-r--r-- |
128 |
core_Rh_2_0_10.mop
|
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- |
rw-r--r-- |
209 |
core_Ru_2_0_10.mop
|
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- |
rw-r--r-- |
210 |
core_Ru_2_6_10.mop
|
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- |
rw-r--r-- |
128 |
core_S_2_2_2.mop
|
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- |
rw-r--r-- |
128 |
core_S_2_4_0.mop
|
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- |
rw-r--r-- |
204 |
core_Sb_2_0_0.mop
|
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- |
rw-r--r-- |
199 |
core_Sb_2_4_1.mop
|
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- |
rw-r--r-- |
229 |
core_Si_2_2_0.mop
|
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- |
rw-r--r-- |
208 |
core_Si_2_2_4.mop
|
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- |
rw-r--r-- |
210 |
core_Si_2_6_0.mop
|
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- |
rw-r--r-- |
207 |
core_Sr_0_0_0.mop
|
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- |
rw-r--r-- |
208 |
core_Sr_2_6_0.mop
|
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- |
rw-r--r-- |
207 |
core_Ta_1_0_4.mop
|
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- |
rw-r--r-- |
110 |
core_Tc_0_1_5.mop
|
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- |
rw-r--r-- |
144 |
core_Ti.mop
|
 |
- |
rw-r--r-- |
130 |
core_Ti_2_6_10.mop
|
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- |
rw-r--r-- |
126 |
core_Ti_anion.mop
|
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- |
rw-r--r-- |
201 |
core_Tl_0_4.mop
|
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- |
rw-r--r-- |
210 |
core_Tl_0_6_10.mop
|
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- |
rw-r--r-- |
210 |
core_Tl_1_3_10.mop
|
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- |
rw-r--r-- |
201 |
core_Tl_2_0.mop
|
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- |
rw-r--r-- |
207 |
core_V_0_0_0.mop
|
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- |
rw-r--r-- |
210 |
core_V_2_6_10.mop
|
 |
- |
rw-r--r-- |
207 |
core_V_2_6_6.mop
|
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- |
rw-r--r-- |
203 |
core_W_1_1_3.mop
|
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- |
rw-r--r-- |
206 |
core_W_1_2_3.mop
|
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- |
rw-r--r-- |
206 |
core_Y_1_2_0.mop
|
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- |
rw-r--r-- |
210 |
core_Y_2_6_10.mop
|
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- |
rw-r--r-- |
209 |
core_Zr_2_2_0.mop
|
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- |
rw-r--r-- |
445 |
csno21r.mop
|
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- |
rw-r--r-- |
1,353 |
diethyl%20ether%20%28tt%29.mop
|
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- |
rw-r--r-- |
1,382 |
diethyl%20ether%20gg.mop
|
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- |
rw-r--r-- |
607 |
dilanthanum%20heptachloride%2C%20anion%20%28bad%29.mop
|
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- |
rw-r--r-- |
837 |
ethane.mop
|
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- |
rw-r--r-- |
840 |
ethanol%20%28anti%29.mop
|
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- |
rw-r--r-- |
871 |
ethanol.mop
|
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- |
rw-r--r-- |
523 |
f.mop
|
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- |
rw-r--r-- |
389 |
fluoromethyl%2C%20radical.mop
|
 |
- |
rw-r--r-- |
563 |
formamide.mop
|
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- |
rw-r--r-- |
525 |
formic%20acid.mop
|
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- |
rw-r--r-- |
375 |
h2o.mop
|
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- |
rw-r--r-- |
441 |
h2o2.mop
|
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- |
rw-r--r-- |
446 |
h2o2cis.mop
|
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- |
rw-r--r-- |
448 |
h2o2trans.mop
|
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- |
rw-r--r-- |
586 |
h4o2.mop
|
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- |
rw-r--r-- |
1,544 |
h6si2o7r.mop
|
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- |
rw-r--r-- |
1,122 |
h8o4%2C%20Complex.mop
|
 |
- |
rw-r--r-- |
1,143 |
h8o4r.mop
|
 |
- |
rw-r--r-- |
594 |
hconh2rr.mop
|
 |
- |
rw-r--r-- |
389 |
lead%20dibromide%20%28bad%29.mop
|
 |
- |
rw-r--r-- |
378 |
lead%20dibromide%20%28bad_2%29.mop
|
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- |
rw-r--r-- |
358 |
lead%20dibromide%20%28good%29.mop
|
 |
- |
rw-r--r-- |
1,519 |
medsul.mop
|
 |
- |
rw-r--r-- |
543 |
methane.mop
|
 |
- |
rw-r--r-- |
1,293 |
mn2%28co%2910%20%28Bad%29.mop
|
 |
- |
rw-r--r-- |
2,142 |
mn2%28co%2910%20%28Good%29.mop
|
 |
- |
rw-r--r-- |
1,266 |
mn2%28co%2910_ref.mop
|
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- |
rw-r--r-- |
1,447 |
n-butane.mop
|
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- |
rw-r--r-- |
1,830 |
naphthalene.mop
|
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- |
rw-r--r-- |
1,822 |
naphthalene_UHF.mop
|
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- |
rw-r--r-- |
479 |
nh3.mop
|
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- |
rw-r--r-- |
434 |
nh3flat.mop
|
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- |
rw-r--r-- |
558 |
ni%28co%294_bad.mop
|
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- |
rw-r--r-- |
1,034 |
ni%28ii%29%28n2s2h%292rr.mop
|
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- |
rw-r--r-- |
2,264 |
o-Methyl%20biphenyl%2C%2090%20degrees.mop
|
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- |
rw-r--r-- |
2,234 |
o-Methyl%20biphenyl%2C%20Complex.mop
|
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- |
rw-r--r-- |
1,320 |
ortho-nitroso-phenol%20%28faulty%29x.mop
|
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- |
rw-r--r-- |
1,258 |
ortho-nitroso-phenol.mop
|
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- |
rw-r--r-- |
2,648 |
os2%28c8h8%29%28co%296.mop
|
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- |
rw-r--r-- |
739 |
oxalic%20acid%20%28t-t%29.mop
|
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- |
rw-r--r-- |
768 |
oxalic%20acid.mop
|
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- |
rw-r--r-- |
1,409 |
para-aminophenol%20%2890%20degrees%29.mop
|
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- |
rw-r--r-- |
1,359 |
para-aminophenol.mop
|
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- |
rw-r--r-- |
1,181 |
s2f10.mop
|
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- |
rw-r--r-- |
1,190 |
s2f10r.mop
|
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- |
rw-r--r-- |
1,317 |
se2f10or.mop
|
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- |
rw-r--r-- |
885 |
sef5ncor.mop
|
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- |
rw-r--r-- |
339 |
silylene%20%28singlet%29.mop
|
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- |
rw-r--r-- |
691 |
sn2o4.mop
|
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- |
rw-r--r-- |
237 |
sodium%20chloride.mop
|
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- |
rw-r--r-- |
2,140 |
test.mop
|
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- |
rw-r--r-- |
173 |
tin%2C%20two%20atoms.mop
|
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- |
rw-r--r-- |
1,514 |
trimethyl%20arsenite%20%28bad%29.mop
|
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- |
rw-r--r-- |
1,477 |
trimethyl%20arsenite%20%28good%29.mop
|
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- |
rw-r--r-- |
621 |
water%20dimer%20structure%200%20%28non-planar%20open%20cs%29.mop
|
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- |
rw-r--r-- |
609 |
water%20dimer%20structure%201%20%28non-planar%20open%20cs%29.mop
|
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- |
rw-r--r-- |
626 |
water%20dimer%20structure%201%20%28non-planar%20open%20cs%29r.mop
|
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- |
rw-r--r-- |
618 |
water%20dimer%20structure%201%27%20%28non-planar%20open%20cs%29r.mop
|
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- |
rw-r--r-- |
658 |
water%20dimer%20structure%2010%20%28planar%20bifurcated%20c2v%29.mop
|
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- |
rw-r--r-- |
678 |
water%20dimer%20structure%2010%20%28planar%20bifurcated%20c2v%29r.mop
|
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- |
rw-r--r-- |
640 |
water%20dimer%20structure%2011%20%28non-planar%20open%20cs%29.mop
|
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- |
rw-r--r-- |
643 |
water%20dimer%20structure%202%20%28open%20ci%29.mop
|
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- |
rw-r--r-- |
621 |
water%20dimer%20structure%202%20%28open%20ci%29r.mop
|
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- |
rw-r--r-- |
650 |
water%20dimer%20structure%203%20%28planar%20open%20cs%29.mop
|
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- |
rw-r--r-- |
619 |
water%20dimer%20structure%203%20%28planar%20open%20cs%29r.mop
|
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- |
rw-r--r-- |
645 |
water%20dimer%20structure%204%20%28cyclic%20ci%29.mop
|
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- |
rw-r--r-- |
618 |
water%20dimer%20structure%204%20%28cyclic%20ci%29r.mop
|
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- |
rw-r--r-- |
645 |
water%20dimer%20structure%205%20%28cyclic%20c2%29.mop
|
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- |
rw-r--r-- |
634 |
water%20dimer%20structure%205%20%28cyclic%20c2%29r.mop
|
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- |
rw-r--r-- |
646 |
water%20dimer%20structure%206%20%28cyclic%20c2h%29.mop
|
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- |
rw-r--r-- |
619 |
water%20dimer%20structure%206%20%28cyclic%20c2h%29r.mop
|
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- |
rw-r--r-- |
661 |
water%20dimer%20structure%207%20%28triply%20hydrogen%20bonded%20cs%29.mop
|
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- |
rw-r--r-- |
646 |
water%20dimer%20structure%207%20%28triply%20hydrogen%20bonded%20cs%29r.mop
|
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- |
rw-r--r-- |
661 |
water%20dimer%20structure%208%20%28non-planar%20bifurcated%20c2v%29.mop
|
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- |
rw-r--r-- |
644 |
water%20dimer%20structure%208%20%28non-planar%20bifurcated%20c2v%29r.mop
|
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- |
rw-r--r-- |
661 |
water%20dimer%20structure%209%20%28non-planar%20bifurcated%20c2v%29.mop
|
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- |
rw-r--r-- |
632 |
water%20dimer%20structure%209%20%28non-planar%20bifurcated%20c2v%29r.mop
|
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- |
rw-r--r-- |
375 |
water.mop
|
 |
- |
rw-r--r-- |
319 |
water_ref.mop
|
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- |
rw-r--r-- |
506 |
xeo4.mop
|