01_NH3_dimer.mop
02_water_dimer.mop
03_formic_acid_dimer.mop
04_formamide_dimer.mop
05_uracil_HB.mop
06_pyridoxine_aminopyridine.mop
07_adenine_thymine_WC.mop
08_CH4_dimer.mop
09_Ethylene_dimer.mop
10_benzene_methane.mop
11_benzene_dimer_stack.mop
12_pyrazine_dimer.mop
13_uracil_dimer_stack.mop
14_indole_benzene_stack.mop
15_adenine_thymine_stack.mop
16_Ethylene_acetylene.mop
17_benzene_H2O.mop
18_benzene_NH3.mop
19_benzene_HCN.mop
20_benzene_dimer_T.mop
21_indole_benzene_T.mop
22_phenol_dimer.mop
01 Water - Water.mop
02 Water - Methanol.mop
03 Water - MeNH2.mop
04 Water - Peptide.mop
05 MeOH - MeOH.mop
06 MeOH - MeNH2.mop
07 MeOH - Peptide.mop
08 MeOH - Water.mop
09 MeNH2 - MeOH.mop
10 MeNH2 - MeNH2.mop
11 MeNH2 - Peptide.mop
12 MeNH2 - Water.mop
13 Peptide - MeOH.mop
14 Peptide - MeNH2.mop
15 Peptide - Peptide.mop
16 Peptide - Water.mop
17 Uracil - Uracil (BP).mop
18 Water - Pyridine.mop
19 MeOH - Pyridine.mop
20 AcOH - AcOH.mop
21 AnNH2 - AcNH2.mop
22 AcOH - Uracil.mop
23 AcNH2 - Uracil.mop
24 Benzene - Benzene (pi - pi).mop
25 Pyridine - Pyridine (pi - pi).mop
26 Uracil - Uracil (pi - pi).mop
27 Benzene - Pyridine (pi - pi).mop
28 Benzene - Uracil (pi - pi).mop
29 Pyridine - uracil (pi - pi).mop
30 Benzene - Ethylene.mop
31 Uracil - Ethylene.mop
32 Uracil - Ethyne.mop
33 Pyridine - Ethylene.mop
34 Pentane - Pentane.mop
35 Neopentane - Pentane.mop
36 Neopentane - Neopentane.mop
37 Cyclopentane - Neopentane.mop
38 Cyclopentane - Cyclopentane.mop
39 Benzene - Cyclopentane.mop
40 Benzene - Neopentane.mop
41 Uracil - Pentane.mop
42 Uracil - Cyclopentane.mop
43 Uracil - Neopentane.mop
44 Ethylene - Pentane.mop
45 Ethyne - Pentane.mop
46 Peptide - Pentane.mop
47 Benzene - Benzene (TS).mop
48 Pyridine - Pyridine (TS).mop
49 Benzene - Pyridine (TS).mop
50 Benzene - Ethyne (CH - pi).mop
51 Ethyne - Ethyne (TS).mop
52 Benzene - AcOH (OH - pi).mop
53 Benzene - AcNH2 (NH - pi).mop
54 Benzene - Water (OH - pi).mop
55 Benzene - MeOH (OH - pi).mop
56 Benzene - MeNH2 (NH - pi).mop
57 Benzene - Peptide (NH - pi).mop
58 Pyridine - Pyridine (CH - N).mop
59 Ethyne - Water.mop
60 Ethyne - AcOH (OH-pi).mop
61 Pentane - AcOH.mop
62 Pentane - AcNH2.mop
63 Benzene - AcOH.mop
64 Peptide - Ethylene.mop
65 Pyridine - Ethyne.mop
66 MeNH2 - Pyridine.mop
1 Circumcoronene adenine.mop
2 Circumcoronene GC base pair.mop
3 Coronene dimer.mop
4 GCGC base pair stack.mop
5 Guanine trimer.mop
6 Octadecane dimer.mop
7 Phenylalanine residues trimer.mop
water dimer structure 1 (non-planar open cs).mop
water dimer structure 10 (planar bifurcated c2v).mop
water dimer structure 2 (open ci).mop
water dimer structure 3 (planar open cs).mop
water dimer structure 4 (cyclic ci).mop
water dimer structure 5 (cyclic c2).mop
water dimer structure 6 (cyclic c2h).mop
water dimer structure 7 (triply hydrogen bonded cs).mop
water dimer structure 8 (non-planar bifurcated c2v).mop
water dimer structure 9 (non-planar bifurcated c2v).mop
water.mop
water_ref.mop
2a TCNA tweezer separated.mop
2a TCNA tweezer.mop
2b DCB tweezer separated.mop
2b DCB tweezer.mop
3a TNF pincer separated.mop
3a TNF pincer.mop
3b NDB pincer separated.mop
3b NDB pincer.mop
4a C60 catcher separated.mop
4a C60 catcher.mop
4b C70 catcher separated.mop
4b C70 catcher.mop
5a GLH mcyle separated.mop
5a GLH mcyle.mop
5b BQ mcyle separated.mop
5b BQ mcyle.mop
6a BuNH4 CB6 separated.mop
6a BuNH4 CB6.mop
6b PrNH4 CB6 separated.mop
6b PrNH4 CB6.mop
7a FECP CB7 separated.mop
7a FECP CB7.mop
7b ADOH CB7 separated.mop
7b ADOH CB7.mop
01 Methane - F2.mop
02 Methane - Cl2.mop
03 Methane - Br2.mop
04 Methane - I2.mop
05 Fluoromethane - methane.mop
06 Chloromethane - methane.mop
07 Trifluoromethane - methane.mop
08 Trichloromethane - methane.mop
09 Fluoromethane dimer.mop
10 Chloromethane dimer.mop
11 Trifluorobenzene - benzene.mop
12 Hexafluorobenzene - benzene.mop
13 Chloromethane - formaldehyde.mop
14 Bromomethane - formaldehyde.mop
15 Iodomethane - formaldehyde.mop
16 Trifluorochloromethane - formaldehyde.mop
17 Trifluorobromomethane - formaldehyde.mop
18 Trifluoroiodomethane - formaldehyde.mop
19 Chlorobenzene - acetone.mop
20 Bromobenzene - acetone.mop
21 Iodobenzene - acetone.mop
22 Chlorobenzene - trimethylamine.mop
23 Bromobenzene - trimethylamine.mop
24 Iodobenzene - trimethylamine.mop
25 Bromobenzene - methanethiol.mop
26 Iodobenzene - methanethiol.mop
27 Bromomethane - benzene.mop
28 Iodomethane - benzene.mop
29 Trifluorobromomethane - benzene.mop
30 Trifluoroiodomethane - benzene.mop
31 Trifluoromethanol - water.mop
32 Trichloromethanol - water.mop
33 HF - methanol.mop
34 HCl - methanol.mop
35 HBr - methanol.mop
36 HI - methanol.mop
37 HF - methylamine.mop
38 HCl - methylamine.mop
39 methanol - fluoromethane.mop
40 methanol - chloromethane.mop
acetate ... methanol.mop
acetate ... methylamine.mop
acetate ... water.mop
guanidinium ... formaldehyde.mop
guanidinium ... methanol.mop
guanidinium ... methylamine.mop
guanidinium ... water.mop
imidazolium ... formaldehyde.mop
imidazolium ... methanol.mop
imidazolium ... methylamine.mop
imidazolium ... water.mop
methylammonium ... formaldehyde.mop
methylammonium ... methanol.mop
methylammonium ... methylamine.mop
methylammonium ... water.mop
