Uploads by Zw3812
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Date | Name | Thumbnail | Size | Description | Versions |
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11:37, 7 November 2014 | Endo product.mol (file) | ![]() |
2 KB | 2 | |
11:33, 7 November 2014 | Exo ts HOMO.png (file) | ![]() |
250 KB | 1 | |
11:32, 7 November 2014 | Exo product measurements.png (file) | ![]() |
567 KB | 1 | |
11:28, 7 November 2014 | Exo pathway zw.jpg (file) | ![]() |
141 KB | exo pathway | 1 |
11:26, 7 November 2014 | Cyclohexadiene with maleic exo.gif (file) | ![]() |
2.98 MB | 1 | |
11:25, 7 November 2014 | CYCLOHEXADIENE WITH MALEIC exo product.mol (file) | ![]() |
2 KB | 1 | |
11:19, 7 November 2014 | Part iii.gif (file) | ![]() |
4 KB | 1 | |
10:55, 7 November 2014 | TS guess 4.gif (file) | ![]() |
1.57 MB | 1 | |
10:50, 7 November 2014 | TS LUMO zw.png (file) | ![]() |
152 KB | 1 | |
10:48, 7 November 2014 | TS HOMO zw.png (file) | ![]() |
123 KB | 1 | |
10:42, 7 November 2014 | Cis butadiene LUMO.png (file) | ![]() |
96 KB | 3 | |
10:40, 7 November 2014 | Cis butadiene HOMO.png (file) | ![]() |
57 KB | 4 | |
10:36, 7 November 2014 | Ts guess 4.png (file) | ![]() |
615 KB | 1 | |
10:31, 7 November 2014 | TS guess 4 TS to product.gif (file) | ![]() |
465 KB | 1 | |
10:28, 7 November 2014 | TS GUESS4.mol (file) | ![]() |
2 KB | 1 | |
10:10, 7 November 2014 | Cis but.gif (file) | ![]() |
2 KB | 1 | |
09:52, 7 November 2014 | Chair ts IRC.png (file) | ![]() |
811 KB | 1 | |
09:35, 7 November 2014 | Boat TS.mol (file) | ![]() |
2 KB | 7 | |
09:31, 7 November 2014 | Chair ts modredundant -force constant 1- 1.mol (file) | ![]() |
2 KB | the result obtained via freeze coord method | 1 |
09:28, 7 November 2014 | Boat QST2 suc.png (file) | ![]() |
256 KB | 1 | |
09:21, 7 November 2014 | Boat QST2 (failed).mol (file) | ![]() |
2 KB | 1 | |
09:09, 7 November 2014 | CHAIR TS MODREDUNDANT -FORCE CONSTANT 0.mol (file) | ![]() |
2 KB | 1 | |
09:03, 7 November 2014 | Chair ts modredundant -force constant 1-.mol (file) | ![]() |
2 KB | 1 | |
08:51, 7 November 2014 | Anti 2 IR spectrum.svg (file) | ![]() |
26 KB | 1 | |
21:43, 6 November 2014 | Chair-boat ts.gif (file) | ![]() |
3 KB | 1 | |
21:37, 6 November 2014 | Chair-boat ts.cml (file) | ![]() |
2 KB | 1 | |
20:30, 6 November 2014 | Hexadiene anti 2 -B3LYP- zw.mol (file) | ![]() |
2 KB | file | 1 |
20:14, 6 November 2014 | Hexadiene anti 2.mol (file) | ![]() |
2 KB | 1 | |
20:13, 6 November 2014 | Hexadiene anti 1.mol (file) | ![]() |
2 KB | 1 | |
18:46, 6 November 2014 | Hexadiene gauche 8.mol (file) | ![]() |
2 KB | 1 | |
18:46, 6 November 2014 | Hexadiene gauche 6.mol (file) | ![]() |
2 KB | 1 | |
18:46, 6 November 2014 | Hexadiene gauche 7.mol (file) | ![]() |
2 KB | 1 | |
18:45, 6 November 2014 | Hexadiene gauche 2.mol (file) | ![]() |
2 KB | 1 | |
18:08, 6 November 2014 | 1.5 hexadiene gauche 7.png (file) | ![]() |
41 KB | 3 | |
18:03, 6 November 2014 | 1.5 hexadiene gauche 2.png (file) | ![]() |
36 KB | 2 | |
20:48, 4 November 2014 | IRC forward coordinate.gif (file) | ![]() |
1.43 MB | 1 | |
19:18, 4 November 2014 | Chair results from QST2 calculation.png (file) | ![]() |
64 KB | 1 | |
19:10, 4 November 2014 | Reactant product.png (file) | ![]() |
121 KB | 1 | |
18:48, 4 November 2014 | Chair TS force constant 1.png (file) | ![]() |
114 KB | 1 | |
18:45, 4 November 2014 | Chair TS force constant 0.png (file) | ![]() |
66 KB | 1 | |
18:12, 4 November 2014 | Chair ts.jpg (file) | ![]() |
115 KB | 3 | |
18:06, 4 November 2014 | Chair ts(-808).gif (file) | ![]() |
1.69 MB | 1 | |
16:21, 4 November 2014 | Anti 2 IR spectrum.jpg (file) | ![]() |
94 KB | 3 | |
10:56, 31 October 2014 | Hexadiene anti 2.gjf (file) | ![]() |
1 KB | 1 | |
16:42, 28 October 2014 | 1.5 hexadiene anti 1.png (file) | ![]() |
46 KB | 1 | |
15:51, 28 October 2014 | 1.5 hexadiene gauche 8.png (file) | ![]() |
59 KB | 1 | |
14:37, 28 October 2014 | 1.5 hexadiene gauche 6.png (file) | ![]() |
59 KB | 1 | |
13:57, 28 October 2014 | Hexadiene gauche 5.mol (file) | ![]() |
2 KB | 1 | |
13:49, 28 October 2014 | Gauche 5 Zhihao.jpeg (file) | ![]() |
34 KB | 1 | |
15:31, 27 October 2014 | Hexadiene gauche 1 result.png (file) | ![]() |
17 KB | 1 |