Uploads by Shp13
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Date | Name | Thumbnail | Size | Description | Versions |
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09:36, 22 October 2015 | TS AM1 imaginaryfreq anim.gif (file) | ![]() |
595 KB | 1 | |
09:35, 22 October 2015 | TS IR AM1.png (file) | ![]() |
11 KB | 1 | |
09:17, 22 October 2015 | LUMO cisbutadiene reactant.png (file) | ![]() |
50 KB | 1 | |
09:17, 22 October 2015 | HOMO cisbutadiene reactant.png (file) | ![]() |
27 KB | 1 | |
09:06, 22 October 2015 | React cisbutadiene AMI.mol (file) | ![]() |
1,008 bytes | 1 | |
19:05, 21 October 2015 | IRC results.png (file) | ![]() |
27 KB | 1 | |
18:25, 21 October 2015 | TS QST2 imaginary freq.gif (file) | ![]() |
768 KB | 1 | |
18:21, 21 October 2015 | Output qst2.mol (file) | ![]() |
2 KB | 1 | |
18:19, 21 October 2015 | Input react &prod QST2.png (file) | ![]() |
56 KB | 1 | |
17:16, 21 October 2015 | TS IR guess derivative.png (file) | ![]() |
9 KB | 1 | |
17:16, 21 October 2015 | TS guess chair derivative imaginaryfreq anim.gif (file) | ![]() |
569 KB | 1 | |
16:34, 21 October 2015 | TS guess chair imaginaryfreq anim.gif (file) | ![]() |
725 KB | 2 | |
16:21, 21 October 2015 | IR spec chair guess TS.png (file) | ![]() |
12 KB | 1 | |
16:03, 21 October 2015 | TS guess chair 321G sp.mol (file) | ![]() |
2 KB | 1 | |
10:28, 21 October 2015 | TS allyl 321G SP.mol (file) | ![]() |
820 bytes | 1 | |
10:27, 21 October 2015 | REACT ANTI1631G sp.mol (file) | ![]() |
2 KB | 1 | |
10:27, 21 October 2015 | REACT ANTI1 sp.mol (file) | ![]() |
2 KB | 1 | |
10:27, 21 October 2015 | REACT GAUCHE1 sp.mol (file) | ![]() |
2 KB | 1 | |
10:18, 21 October 2015 | REACT ANTI sp.mol (file) | ![]() |
2 KB | 2 | |
18:44, 20 October 2015 | Compariing conformers newman sp.png (file) | ![]() |
3 KB | 1 | |
18:12, 20 October 2015 | IR spectrum 631G freq anti1.png (file) | ![]() |
16 KB | 1 | |
17:43, 20 October 2015 | Labelled anti2.png (file) | ![]() |
52 KB | 1 | |
17:22, 20 October 2015 | Actual lowest energy conformer sp.png (file) | ![]() |
993 bytes | 1 | |
17:00, 20 October 2015 | Hypothesis lowest energy conformer sp.png (file) | ![]() |
999 bytes | 1 | |
16:45, 19 October 2015 | Endo exo diels aldrer sp.png (file) | ![]() |
7 KB | 1 | |
15:56, 19 October 2015 | Simple diels alder sp.png (file) | ![]() |
1 KB | 1 | |
15:48, 19 October 2015 | Cope rearrangement sp.png (file) | ![]() |
1 KB | 1 |