Uploads by Yc5410
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Date | Name | Thumbnail | Size | Description | Versions |
---|---|---|---|---|---|
19:43, 7 February 2013 | DA TS OPT BERNY AM1 631gd vibration.gif (file) | ![]() |
494 KB | 1 | |
19:42, 7 February 2013 | DA TS OPT BERNY AM1 631gd vibfreq.PNG (file) | 26 KB | 1 | ||
19:40, 7 February 2013 | DA TS OPT BERNY AM1 631gd pointgroup.PNG (file) | 22 KB | 1 | ||
19:38, 7 February 2013 | DA TS OPT BERNY AM1 631GD.mol (file) | ![]() |
2 KB | 1 | |
19:35, 7 February 2013 | DA TS OPT BERNY AM1 631GD.LOG (file) | ![]() |
316 KB | 1 | |
19:34, 7 February 2013 | DA TS OPT BERNY AM1 631gd info.PNG (file) | 21 KB | 1 | ||
18:49, 7 February 2013 | Da ts opt berny am1 irc plot.PNG (file) | 49 KB | 1 | ||
18:47, 7 February 2013 | Da ts opt berny am1 IRC.gif (file) | ![]() |
612 KB | 1 | |
18:45, 7 February 2013 | DA TS OPT BERNY AM1 IRC.LOG (file) | ![]() |
873 KB | 1 | |
18:21, 7 February 2013 | Da ts opt berny am1 2.PNG (file) | 29 KB | 1 | ||
17:42, 7 February 2013 | Da ts opt berny am1 vibfreq.PNG (file) | 27 KB | 1 | ||
17:39, 7 February 2013 | DA TS OPT BERNY AM1.LOG (file) | ![]() |
492 KB | 1 | |
17:39, 7 February 2013 | DA TS OPT BERNY AM1.mol (file) | ![]() |
2 KB | 1 | |
17:38, 7 February 2013 | Da ts opt berny am1 pointgroup.PNG (file) | 31 KB | 1 | ||
17:32, 7 February 2013 | Da ts opt berny am1 info.PNG (file) | 21 KB | 1 | ||
16:59, 7 February 2013 | Ethylene opt am1 pointgroup yudan.PNG (file) | 21 KB | 1 | ||
16:57, 7 February 2013 | Ethylene opt am1 info yudan.PNG (file) | 21 KB | 1 | ||
16:56, 7 February 2013 | Ethylene opt am1 yudan.mol (file) | ![]() |
625 bytes | 1 | |
16:55, 7 February 2013 | ETHYLENE OPT AM1 yudan.LOG (file) | ![]() |
22 KB | 1 | |
16:41, 7 February 2013 | Butadiene HOMOLUMO yudan.png (file) | ![]() |
138 KB | 2 | |
15:53, 7 February 2013 | Butadiene opt am1 pointgroup.PNG (file) | 21 KB | 1 | ||
15:46, 7 February 2013 | Butadiene opt am1 info yudan.PNG (file) | 23 KB | 1 | ||
15:46, 7 February 2013 | BUTADIENE OPT AM1 yudan.LOG (file) | ![]() |
73 KB | 1 | |
15:45, 7 February 2013 | BUTADIENE OPT AM1 yudan.mol (file) | ![]() |
1,006 bytes | 1 | |
14:33, 7 February 2013 | ChairbernyIRC minimisation pointgroup.PNG (file) | 22 KB | 1 | ||
14:30, 7 February 2013 | CHAIRBERNYIRC NORMAL MINIMISATION.LOG (file) | ![]() |
137 KB | 1 | |
14:30, 7 February 2013 | CHAIRBERNYIRC NORMAL MINIMISATION.mol (file) | ![]() |
2 KB | 1 | |
14:23, 7 February 2013 | ChairbernyIRC minimisation info.PNG (file) | 24 KB | 1 | ||
14:04, 7 February 2013 | Chairberny IRC plot yudan.PNG (file) | 53 KB | 1 | ||
14:00, 7 February 2013 | Chairberny IRC yudan.gif (file) | ![]() |
212 KB | 1 | |
13:52, 7 February 2013 | CHAIRBERNY IRC yudan.LOG (file) | ![]() |
462 KB | 1 | |
13:25, 7 February 2013 | Boatqst2 attempt1 pointgroup.PNG (file) | 23 KB | 1 | ||
13:23, 7 February 2013 | Boatqst2 attempt1 info.PNG (file) | 23 KB | 2 | ||
13:17, 7 February 2013 | Chairberny 631gd pointgroup.PNG (file) | 22 KB | 1 | ||
13:16, 7 February 2013 | Chairberny 631gd vibration.gif (file) | ![]() |
492 KB | 1 | |
13:15, 7 February 2013 | Chairberny 631gd vibfreq.PNG (file) | 25 KB | 1 | ||
13:07, 7 February 2013 | CHAIRBERNY REOPT631GD yudan.mol (file) | ![]() |
2 KB | 1 | |
13:04, 7 February 2013 | CHAIRBERNY REOPT631GD yudan.LOG (file) | ![]() |
232 KB | 1 | |
13:03, 7 February 2013 | Chairberny 631gd info yudan.PNG (file) | 24 KB | 1 | ||
13:00, 7 February 2013 | Boatqst2attempt2 631gd pointgroup.PNG (file) | 21 KB | 1 | ||
12:50, 7 February 2013 | Anti2 321g freq vibfreq.PNG (file) | 48 KB | 1 | ||
12:50, 7 February 2013 | Anti2 321g freq ir.PNG (file) | 13 KB | 1 | ||
12:41, 7 February 2013 | Anti2 321g freq info yudan.PNG (file) | 33 KB | 2 | ||
12:38, 7 February 2013 | YUDANCHEN ANTI2 321G FREQ.LOG (file) | ![]() |
86 KB | 1 | |
11:57, 7 February 2013 | BOATQST2SECOND 631gd vibration.gif (file) | ![]() |
477 KB | 2 | |
11:55, 7 February 2013 | Boatqst2attempt2 631gd vibfreq yudan.PNG (file) | 27 KB | 1 | ||
11:44, 7 February 2013 | BOATQST2SECOND 631GD yudan.mol (file) | ![]() |
2 KB | 1 | |
11:40, 7 February 2013 | Boatqst2attempt2 631gd info.PNG (file) | 22 KB | 1 | ||
11:39, 7 February 2013 | BOATQST2SECOND 631GD yudan.LOG (file) | ![]() |
408 KB | 1 | |
19:52, 6 February 2013 | BOAT QST2SECOND vibration.gif (file) | ![]() |
447 KB | 4 |