Date:Thu Mar 11 09:07:06 2021
Set of Individual Molecules
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# GUI Species
1
(JSmol)
01 Ammonia dimer
2
(JSmol)
02 Water dimer
3
(JSmol)
03 Formic acid dimer
4
(JSmol)
04 Formamide dimer
5
(JSmol)
05 Uracil HB
6
(JSmol)
06 Pyridoxine - aminopyridine
7
(JSmol)
07 Adenine - thymine WC
8
(JSmol)
08 Methane methane
9
(JSmol)
09 Ethylene dimer
10
(JSmol)
10 Benzene - methane
11
(JSmol)
11 Benzene dimer stack
12
(JSmol)
12 Pyrazine dimer
13
(JSmol)
13 Uracil dimer stack
14
(JSmol)
14 Indole - benzene stack
15
(JSmol)
15 Adenine - thymine stack
16
(JSmol)
16 Ethylene - acetylene
17
(JSmol)
17 Benzene - water
18
(JSmol)
18 Benzene - ammonia
19
(JSmol)
19 Benzene - HCN
20
(JSmol)
20 Benzene dimer T"
21
(JSmol)
21 Indole - benzene T
22
(JSmol)
22 Phenol dimer
23
(JSmol)
01 Water - Water
24
(JSmol)
02 Water - Methanol
25
(JSmol)
03 Water - MeNH2
26
(JSmol)
04 Water - Peptide
27
(JSmol)
05 MeOH - MeOH
28
(JSmol)
06 MeOH - MeNH2
29
(JSmol)
07 MeOH - Peptide
30
(JSmol)
08 MeOH - Water
31
(JSmol)
09 MeNH2 - MeOH
32
(JSmol)
10 MeNH2 - MeNH2
33
(JSmol)
11 MeNH2 - Peptide
34
(JSmol)
12 MeNH2 - Water
35
(JSmol)
13 Peptide - MeOH
36
(JSmol)
14 Peptide - MeNH2
37
(JSmol)
15 Peptide - Peptide
38
(JSmol)
16 Peptide - Water
39
(JSmol)
17 Uracil - Uracil (BP)
40
(JSmol)
18 Water - Pyridine
41
(JSmol)
19 MeOH - Pyridine
42
(JSmol)
20 AcOH - AcOH
43
(JSmol)
21 AnNH2 - AcNH2
44
(JSmol)
22 AcOH - Uracil
45
(JSmol)
23 AcNH2 - Uracil
46
(JSmol)
24 Benzene - Benzene (pi - pi)
47
(JSmol)
25 Pyridine - Pyridine (pi - pi)
48
(JSmol)
26 Uracil - Uracil (pi - pi)
49
(JSmol)
27 Benzene - Pyridine (pi - pi)
50
(JSmol)
28 Benzene - Uracil (pi - pi)
51
(JSmol)
29 Pyridine - uracil (pi - pi)
52
(JSmol)
30 Benzene - Ethylene
53
(JSmol)
31 Uracil - Ethylene
54
(JSmol)
32 Uracil - Ethyne
55
(JSmol)
33 Pyridine - Ethylene
56
(JSmol)
34 Pentane - Pentane
57
(JSmol)
35 Neopentane - Pentane
58
(JSmol)
36 Neopentane - Neopentane
59
(JSmol)
37 Cyclopentane - Neopentane
60
(JSmol)
38 Cyclopentane - Cyclopentane
61
(JSmol)
39 Benzene - Cyclopentane
62
(JSmol)
40 Benzene - Neopentane
63
(JSmol)
41 Uracil - Pentane
64
(JSmol)
42 Uracil - Cyclopentane
65
(JSmol)
43 Uracil - Neopentane
66
(JSmol)
44 Ethylene - Pentane
67
(JSmol)
45 Ethyne - Pentane
68
(JSmol)
46 Peptide - Pentane
69
(JSmol)
47 Benzene - Benzene (TS)
70
(JSmol)
48 Pyridine - Pyridine (TS)
71
(JSmol)
49 Benzene - Pyridine (TS)
72
(JSmol)
50 Benzene - Ethyne (CH - pi)
73
(JSmol)
51 Ethyne - Ethyne (TS)
74
(JSmol)
52 Benzene - AcOH (OH - pi)
75
(JSmol)
53 Benzene - AcNH2 (NH - pi)
76
(JSmol)
54 Benzene - Water (OH - pi)
77
(JSmol)
55 Benzene - MeOH (OH - pi)
78
(JSmol)
56 Benzene - MeNH2 (NH - pi)
79
(JSmol)
57 Benzene - Peptide (NH - pi)
80
(JSmol)
58 Pyridine - Pyridine (CH - N)
81
(JSmol)
59 Ethyne - Water
82
(JSmol)
60 Ethyne - AcOH (OH-pi)
83
(JSmol)
61 Pentane - AcOH
84
(JSmol)
62 Pentane - AcNH2
85
(JSmol)
63 Benzene - AcOH
86
(JSmol)
64 Peptide - Ethylene
87
(JSmol)
65 Pyridine - Ethyne
88
(JSmol)
66 MeNH2 - Pyridine
89
(JSmol)
1 Circumcoronene adenine
90
(JSmol)
2 Circumcoronene GC base pair
91
(JSmol)
3 Coronene dimer
92
(JSmol)
4 GCGC base pair stack
93
(JSmol)
5 Guanine trimer
94
(JSmol)
6 Octadecane dimer
95
(JSmol)
7 Phenylalanine residues trimer
96
(JSmol)
Water dimer Structure 1 (Non-planar open Cs)
97
(JSmol)
Water dimer Structure 10 (Planar Bifurcated C2v)
98
(JSmol)
Water dimer Structure 2 (Open Ci)
99
(JSmol)
Water dimer Structure 3 (Planar Open Cs)
100
(JSmol)
Water dimer Structure 4 (Cyclic Ci)
101
(JSmol)
Water dimer Structure 5 (Cyclic C2)
102
(JSmol)
Water dimer Structure 6 (Cyclic C2h)
103
(JSmol)
Water dimer Structure 7 (Triply Hydrogen Bonded Cs)
104
(JSmol)
Water dimer Structure 8 (Non-planar Bifurcated C2v)
105
(JSmol)
Water dimer Structure 9 (Non-planar Bifurcated C2v)
106
(JSmol)
Water
107
(JSmol)
Water
108
(JSmol)
2a TCNA tweezer
109
(JSmol)
2b DCB tweezer
110
(JSmol)
3a TNF pincer
111
(JSmol)
3b NDB pincer
112
(JSmol)
4a C60 catcher
113
(JSmol)
4b C70 catcher
114
(JSmol)
5a GLH mcyle
115
(JSmol)
5b BQ mcyle
116
(JSmol)
6a BuNH4 CB6
117
(JSmol)
6b PrNH4 CB6
118
(JSmol)
7a FECP CB7
119
(JSmol)
7b ADOH CB7
120
(JSmol)
01 Methane - F2
121
(JSmol)
02 Methane - Cl2
122
(JSmol)
03 Methane - Br2
123
(JSmol)
04 Methane - I2
124
(JSmol)
05 Fluoromethane - methane
125
(JSmol)
06 Chloromethane - methane
126
(JSmol)
07 Trifluoromethane - methane
127
(JSmol)
08 Trichloromethane - methane
128
(JSmol)
09 Fluoromethane dimer
129
(JSmol)
10 Chloromethane dimer
130
(JSmol)
11 Trifluorobenzene - benzene
131
(JSmol)
12 Hexafluorobenzene - benzene
132
(JSmol)
13 Chloromethane - formaldehyde
133
(JSmol)
14 Bromomethane - formaldehyde
134
(JSmol)
15 Iodomethane - formaldehyde
135
(JSmol)
16 Trifluorochloromethane - formaldehyde
136
(JSmol)
17 Trifluorobromomethane - formaldehyde
137
(JSmol)
18 Trifluoroiodomethane - formaldehyde
138
(JSmol)
19 Chlorobenzenezene - acetone
139
(JSmol)
20 Bromobenzenezene - acetone
140
(JSmol)
21 Iodobenzenezene - acetone
141
(JSmol)
22 Chlorobenzenezene - trimethylamine
142
(JSmol)
23 Bromobenzenezene - trimethylamine
143
(JSmol)
24 Iodobenzenezene - trimethylamine
144
(JSmol)
25 Bromobenzenezene - methanethiol
145
(JSmol)
26 Iodobenzenezene - methanethiol
146
(JSmol)
27 Bromomethane - benzene
147
(JSmol)
28 Iodomethane - benzene
148
(JSmol)
29 Trifluorobromomethane - benzene
149
(JSmol)
30 Trifluoroiodomethane - benzene
150
(JSmol)
31 Trifluoromethanol - water
151
(JSmol)
32 Trichloromethanol - water
152
(JSmol)
33 HF - methanol
153
(JSmol)
34 HCl - methanol
154
(JSmol)
35 HBr - methanol
155
(JSmol)
36 HI - methanol
156
(JSmol)
37 HF - methylamine
157
(JSmol)
38 HCl - methylamine
158
(JSmol)
39 methanol - fluoromethane
159
(JSmol)
40 methanol - chloromethane
160
(JSmol)
acetate ... methanol
161
(JSmol)
acetate ... methylamine
162
(JSmol)
acetate ... water
163
(JSmol)
guanidinium ... formaldehyde
164
(JSmol)
guanidinium ... methanol
165
(JSmol)
guanidinium ... methylamine
166
(JSmol)
guanidinium ... water
167
(JSmol)
imidazolium ... formaldehyde
168
(JSmol)
imidazolium ... methanol
169
(JSmol)
imidazolium ... methylamine
170
(JSmol)
imidazolium ... water
171
(JSmol)
methylammonium ... formaldehyde
172
(JSmol)
methylammonium ... methanol
173
(JSmol)
methylammonium ... methylamine