Jump to content

Uploads by Sm2609

This special page shows all uploaded files.

File list
First pagePrevious pageNext pageLast page
Date Name Thumbnail Size Description Versions
17:29, 10 December 2011 Boat QST2 HF sm.png (file) 121 KB   1
17:29, 10 December 2011 Boat QST2 HF sm.mol2 (file) 993 bytes   1
16:27, 10 December 2011 TS boat numbering adjusted sm.png (file) 64 KB   1
16:13, 10 December 2011 TS boat fail structure sm2.png (file) 169 KB   1
16:11, 10 December 2011 TS boat fail structure sm.png (file) 109 KB   1
15:59, 10 December 2011 TS boat numbering sm.png (file) 53 KB   1
15:50, 10 December 2011 TS chair deriv DFT 565.gif (file) 843 KB   1
15:45, 10 December 2011 TS chair deriv DFT optfreq.mol2 (file) 980 bytes   1
15:14, 10 December 2011 TS C2H redundant sm.mol2 (file) 976 bytes   2
15:14, 10 December 2011 TS C2H Berny sm.mol2 (file) 976 bytes   1
14:47, 10 December 2011 TS boat red num sm.png (file) 26 KB   1
14:36, 10 December 2011 TS allyl frag op sm.mol2 (file) 551 bytes   1
14:13, 10 December 2011 TS boat DFT QST3 530 sm.gif (file) 880 KB   1
13:42, 10 December 2011 TS boat DFT QST2 530 sm.gif (file) 824 KB   1
12:35, 10 December 2011 TS boat guess structure sm.png (file) 38 KB   1
12:29, 10 December 2011 TS QST3 840 sm.gif (file) 870 KB   1
11:59, 10 December 2011 TS boat QST2 839 sm.gif (file) 976 KB   1
11:00, 10 December 2011 TS C2h deriv opt sm.mol2 (file) 976 bytes   1
16:54, 9 December 2011 TS boat QST2 fail sm.mol2 (file) 993 bytes   1
15:21, 9 December 2011 TS C2H Berny sm.gif (file) 1.13 MB   1
15:14, 9 December 2011 TS C2H Berny sm.png (file) 48 KB   1
12:16, 9 December 2011 Cope anti 2 0K input sm.png (file) 2 KB   1
11:51, 9 December 2011 Cope anti 2 lowfreq sm.png (file) 3 KB   2
11:29, 9 December 2011 Cope gauche op wire sm3.png (file) 192 KB   1
11:24, 9 December 2011 Cope gauche reop wire sm.png (file) 179 KB   1
11:24, 9 December 2011 Cope gauche op wire sm.png (file) 120 KB   1
16:25, 8 December 2011 Cope gauche 3 reop HOMO sm.png (file) 642 KB   1
16:25, 8 December 2011 Cope anti 2 reop HOMO sm.png (file) 574 KB   1
16:23, 8 December 2011 Cope anti 1 reop HOMO sm.png (file) 545 KB   1
16:20, 8 December 2011 Cope anti 1 reop MO sm.png (file) 353 KB   2
16:17, 8 December 2011 Cope gauche 3 reop MO sm.png (file) 376 KB   1
16:17, 8 December 2011 Cope anti 2 reop MO sm.png (file) 346 KB   1
15:06, 8 December 2011 Cope gauche 3 HOMO sm.png (file) 649 KB   1
15:06, 8 December 2011 Cope anti 2 HOMO sm.png (file) 561 KB   1
15:05, 8 December 2011 Cope anti 1 HOMO sm.png (file) 487 KB   1
13:20, 8 December 2011 Butane conformations sm.png (file) 82 KB   1
20:49, 7 December 2011 Cope anti 2 IR spectrum sm.jpg (file) 217 KB   1
20:07, 7 December 2011 Cope anti 2 reop geom sm.png (file) 125 KB   1
20:07, 7 December 2011 Cope anti 2 geom sm.png (file) 140 KB   1
19:09, 7 December 2011 Cope gauche 3 reop sm.png (file) 84 KB   2
19:08, 7 December 2011 Cope gauche 3 reop sm.mol2 (file) 979 bytes   1
18:54, 7 December 2011 Cope anti 1 reop sm.mol2 (file) 977 bytes   1
18:53, 7 December 2011 Cope anti 1 reop sm.png (file) 345 KB   1
18:42, 7 December 2011 Cope anti 2 reop sm.mol2 (file) 977 bytes   1
18:41, 7 December 2011 Cope anti 2 reop sm.png (file) 319 KB   1
18:11, 7 December 2011 Chair boat TS sm.png (file) 22 KB   2
17:31, 7 December 2011 Cope gauche 6 sm.png (file) 187 KB   1
17:31, 7 December 2011 Cope gauche 6 sm.mol2 (file) 974 bytes   1
17:17, 7 December 2011 Cope gauche 5 sm.png (file) 173 KB   1
17:17, 7 December 2011 Cope gauche 5 sm.mol2 (file) 974 bytes   1
First pagePrevious pageNext pageLast page