Uploads by Rm1412
This special page shows all uploaded files.
| Date | Name | Thumbnail | Size | Description | Versions |
|---|---|---|---|---|---|
| 10:31, 7 November 2014 | HOMOTSFDDielsAlder1B3LYP6-31GRM1412.png (file) |  |
125 KB | 2 | |
| 10:26, 7 November 2014 | LUMOB3LYP6-31GETHENERM1412.png (file) |  |
26 KB | 2 | |
| 10:26, 7 November 2014 | HOMOB3LYP6-31GETHENERM1412.png (file) |  |
27 KB | 2 | |
| 10:25, 7 November 2014 | SEAM1LUMOButadieneRM1412.png (file) |  |
21 KB | 2 | |
| 10:24, 7 November 2014 | SEAM1HOMOButadieneRM1412.png (file) |  |
19 KB | 2 | |
| 22:14, 6 November 2014 | B3LYP6-31G(d)Hexadiene(gauche 2)RM1412.mol (file) |  |
2 KB | 1 | |
| 22:04, 6 November 2014 | B3LYP6-31GETHENERM1412.mol (file) | |
632 bytes | 1 | |
| 21:47, 6 November 2014 | B3LYP6-31GTSChairfinalRM1412.mol (file) | |
2 KB | 1 | |
| 21:47, 6 November 2014 | B3LYP6-31GTSBOATFINALRM1412.mol (file) | |
2 KB | 1 | |
| 21:27, 6 November 2014 | TSBERNYDIELSALDERFDB3LYP6-31GRM1412.gif (file) |  |
400 KB | 2 | |
| 21:23, 6 November 2014 | TSBERNYDIELSALDERFDRM1412.png (file) |  |
412 KB | 1 | |
| 21:02, 6 November 2014 | LUMOTSFDDielsAlder13B3LYP6-31GRM1412.png (file) |  |
81 KB | 1 | |
| 21:01, 6 November 2014 | HOMOTSFDDielsAlder12B3LYP6-31GRM1412.png (file) |  |
67 KB | 1 | |
| 20:51, 6 November 2014 | HF3-21GMALEICANHYDRIDERM1412.mol (file) | |
937 bytes | 2 | |
| 20:40, 6 November 2014 | HF3-21G13-CYCLOHEXADIENERM1412.mol (file) | |
1 KB | 1 | |
| 20:39, 6 November 2014 | HF3-21GEXORM1412.mol (file) | |
2 KB | 1 | |
| 20:38, 6 November 2014 | HF3-21GENDORM1412.mol (file) | |
2 KB | 1 | |
| 20:30, 6 November 2014 | IRCChairTSCopeRM1412.png (file) |  |
428 KB | 1 | |
| 20:30, 6 November 2014 | IRCBoatTSCopeRM1412.png (file) |  |
397 KB | 1 | |
| 17:18, 6 November 2014 | TSFrozenDerivativeDielsAlder1B3LYP6-31GRM1412.mol (file) | |
2 KB | 1 | |
| 17:18, 6 November 2014 | TSFrozenCoordDielsAlder1B3LYP6-31GRM1412.mol (file) | |
2 KB | 1 | |
| 17:18, 6 November 2014 | TSBernyDielsAlder1B3LYP6-31GRM1412.mol (file) | |
2 KB | 1 | |
| 13:29, 6 November 2014 | SEAM1ButadieneRM1412.mol (file) | |
1,008 bytes | 1 | |
| 08:38, 6 November 2014 | QST2TSBoatSetUp.png (file) |  |
56 KB | 3 | |
| 20:18, 5 November 2014 | IRCQST2TSChairView2RM1412.gif (file) |  |
170 KB | 1 | |
| 20:18, 5 November 2014 | IRCQST2TSBoatRM1412.gif (file) |  |
199 KB | 1 | |
| 20:13, 5 November 2014 | IRCTSBOATOPTIMISATIONQST2RM1412.gif (file) |  |
231 KB | 2 | |
| 20:07, 5 November 2014 | IRCQST2TSChairView1RM1412.gif (file) |  |
184 KB | 2 | |
| 14:14, 5 November 2014 | TSChairGuessInitialRM1412.mol (file) | |
2 KB | 1 | |
| 14:12, 5 November 2014 | HF3-21GallylfragRM1412.mol (file) | |
820 bytes | 2 | |
| 12:36, 5 November 2014 | QST2BoatFirstTSRM1412.gif (file) |  |
526 KB | 2 | |
| 12:30, 5 November 2014 | TSBoatOptimisation(anti2)RM1412.mol (file) | |
2 KB | 3 | |
| 22:00, 4 November 2014 | QST2TSBoatSetUp2RM1412.png (file) |  |
57 KB | 1 | |
| 20:56, 4 November 2014 | QST2BoatTSRM1412.gif (file) |  |
423 KB | 2 | |
| 20:32, 4 November 2014 | TSChairGuessOptCopeRearr.gif (file) |  |
355 KB | 3 | |
| 20:32, 4 November 2014 | TSChairGuessFrozenOptCopeRearrRM1412.gif (file) |  |
377 KB | 6 | |
| 20:29, 4 November 2014 | TSChairGuessFrozenDerivativeOptCopeRearrRM1412.gif (file) |  |
344 KB | 3 | |
| 22:37, 3 November 2014 | FreqB3LYP6-31G(d)Hexadiene(anti2)IRspectrum0KRM1412.png (file) | Hexadiene(anti2)IRspectrum0KRM1412.png) |
433 KB | IR spectrum of ''anti 2'' 1, 5-hexadiene at 298K optimised with B3LYP/6-31G | 1 |
| 22:33, 3 November 2014 | FreqB3LYP6-31G(d)Hexadiene(anti2)IRspectrumRM1412.jpg (file) | Hexadiene(anti2)IRspectrumRM1412.jpg) |
102 KB | IR spectrum of ''anti 2'' 1, 5-hexadiene at 298K optimised with B3LYP/6-31G | 1 |
| 22:15, 2 November 2014 | HF3-21GHexadiene(anti1act)a)RM1412.mol (file) | |
2 KB | 1 | |
| 22:15, 2 November 2014 | HF3-21GHexadiene(anti4)d)RM1412.mol (file) | |
2 KB | 1 | |
| 21:23, 1 November 2014 | HF3-21GHexadiene(gauche2)d)RM1412.mol (file) | |
2 KB | 1 | |
| 21:23, 1 November 2014 | HF3-21GHexadiene(gauche5)d)RM1412.mol (file) | |
2 KB | 1 | |
| 19:48, 1 November 2014 | HF3-21GHexadiene(anti2)e)RM1412.mol (file) | |
2 KB | 1 | |
| 19:48, 1 November 2014 | B3LYP6-31G(d)Hexadiene(anti2)f)RM1412.mol (file) | |
2 KB | 1 | |
| 19:36, 1 November 2014 | HF3-21GHexadiene(gauche3)d)RM1412.mol (file) | |
2 KB | 1 | |
| 19:27, 1 November 2014 | HF3-21GHexadiene(gauche6)d)RM1412.mol (file) | |
2 KB | 1 | |
| 19:18, 1 November 2014 | HF3-21GHexadiene(gauche1)c)RM1412.mol (file) | |
2 KB | 1 | |
| 18:18, 1 November 2014 | HF3-21GHexadiene(gauche4)b)RM1412.mol (file) | |
2 KB | 1 | |
| 16:40, 31 October 2014 | HF3-21GHexadiene(anti1)a)RM1412.mol (file) | |
2 KB | 4 |
