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