Uploads by Ds3012
This special page shows all uploaded files.
| Date | Name | Thumbnail | Size | Description | Versions |
|---|---|---|---|---|---|
| 14:25, 2 December 2014 | DMSmaleic dielsalder ts endo.mol (file) |  |
2 KB | 2 | |
| 15:32, 1 December 2014 | DMSendo ts animscaled.gif (file) |  |
261 KB | 1 | |
| 14:56, 1 December 2014 | DMSexo ts LUMO.jpg (file) |  |
111 KB | 1 | |
| 14:55, 1 December 2014 | DMSexo ts HOMO.jpg (file) |  |
103 KB | 1 | |
| 14:43, 1 December 2014 | DMSexo ts animscaled.gif (file) |  |
295 KB | 2 | |
| 14:29, 1 December 2014 | DMSmaleic dielsalder ts exo.mol (file) | |
2 KB | 1 | |
| 13:11, 1 December 2014 | DMSprototype ts structure.mol (file) | |
2 KB | 1 | |
| 11:03, 1 December 2014 | DMSsymmetry plane.mol (file) | |
1 KB | 1 | |
| 10:27, 1 December 2014 | DMSethylene LUMO.jpg (file) |  |
79 KB | 1 | |
| 10:26, 1 December 2014 | DMSethylene HOMO.jpg (file) |  |
72 KB | 1 | |
| 17:13, 29 November 2014 | DMSmaleic diels alder endo.jpg (file) |  |
7 KB | 1 | |
| 17:10, 29 November 2014 | DMSmaleic diels alder exo.jpg (file) |  |
7 KB | 1 | |
| 16:57, 29 November 2014 | DMSmaleic diels alder react.jpg (file) |  |
11 KB | 1 | |
| 16:49, 29 November 2014 | DMSprototype diels alder react.jpg (file) |  |
7 KB | 1 | |
| 15:49, 28 November 2014 | DMScisButadiene opt lumo.jpg (file) |  |
72 KB | 2 | |
| 15:30, 28 November 2014 | DMSprototype ts LUMO.jpg (file) |  |
73 KB | 1 | |
| 15:25, 28 November 2014 | DMSprototype ts HOMO.jpg (file) |  |
73 KB | 1 | |
| 15:00, 28 November 2014 | DMSprototype ts vibrationscaled.gif (file) |  |
237 KB | 1 | |
| 14:22, 28 November 2014 | DMSdiels-alder1 guess ts.mol (file) | |
2 KB | 1 | |
| 14:14, 28 November 2014 | DMSbicyclic guess ts.mol (file) | |
2 KB | 1 | |
| 14:00, 28 November 2014 | DMScisButadiene opt homo.jpg (file) |  |
71 KB | 1 | |
| 19:07, 27 November 2014 | DMScisButadiene opt lumo.mol (file) |  |
99 KB | 2 | |
| 16:58, 27 November 2014 | DMSboat irc try1.mol (file) | |
2 KB | 1 | |
| 16:55, 27 November 2014 | DMScope rearrangement diagram.jpg (file) |  |
6 KB | 1 | |
| 16:40, 27 November 2014 | DMShexadiene chair irc try1.mol (file) | |
2 KB | 1 | |
| 14:58, 27 November 2014 | DMSboat ts vibrationscaled.gif (file) |  |
391 KB | 1 | |
| 14:47, 27 November 2014 | DMShexadiene boat ts qst2.mol (file) | |
2 KB | 1 | |
| 14:37, 27 November 2014 | DMSboat newangles.mol (file) | |
2 KB | 1 | |
| 14:26, 27 November 2014 | DMSboat ts failscaled.gif (file) |  |
447 KB | 1 | |
| 14:20, 27 November 2014 | DMSqst2 boatfail.mol (file) | |
2 KB | 1 | |
| 15:48, 25 November 2014 | DMSchair ts anim2scaled.gif (file) |  |
261 KB | 1 | |
| 15:10, 25 November 2014 | DMSchair ts anim1scaled.gif (file) |  |
256 KB | 1 | |
| 15:02, 25 November 2014 | DMSchair ts anim1.gif (file) |  |
468 KB | 1 | |
| 14:52, 25 November 2014 | DMSchair ts guess.mol (file) | |
2 KB | 1 | |
| 13:40, 25 November 2014 | DMShexadiene cidftopt.mol (file) | |
2 KB | 1 | |
| 13:15, 25 November 2014 | DMShexadiene anti3.mol (file) | |
2 KB | 1 | |
| 13:00, 25 November 2014 | DMShexadiene anti2.mol (file) | |
2 KB | 1 | |
| 12:47, 25 November 2014 | DMShexadiene gauchemin.mol (file) | |
2 KB | 1 | |
| 16:03, 24 November 2014 | DMShexadiene gauche.mol (file) | |
2 KB | 1 | |
| 15:32, 24 November 2014 | DMShexadiene anti.mol (file) | |
2 KB | 1 | |
| 19:34, 5 November 2014 | Dms mgo cellvolumevstemp2.png (file) |  |
107 KB | 3 | |
| 11:44, 5 November 2014 | Dms mgo cellvolumevstemp1.png (file) |  |
77 KB | Cell Volume vs. Temperature - Daniel Spencer | 1 |
| 11:43, 5 November 2014 | Dms mgo latconstantvstemp1.png (file) |  |
83 KB | Lattice Constant vs. Temperature - Daniel Spencer | 1 |
| 11:42, 5 November 2014 | Dms mgo freeenergyvstemp1.png (file) |  |
77 KB | Free energy vs. Temperature - Daniel Spencer | 1 |
| 14:30, 3 November 2014 | Dms cao phonondispersion.jpg (file) |  |
65 KB | CaO phonon dispersion curve for comparison to MgO - Daniel Spencer. Taken from K. H. Rieder, B. A. Weinstein, M. Cardona, H. Bilz, ''Phys. Rev. B'', 1973, '''8''', 4780-4786. | 1 |
| 15:23, 2 November 2014 | Dms mgo qh freeenergyvstemp.png (file) |  |
76 KB | Free Energy vs. Temperature for MgO under QHA - Daniel Spencer | 2 |
| 13:42, 1 November 2014 | Dms mgo phonondos 64x64x64.jpg (file) |  |
24 KB | 64 x 64 x 64 Phonon DOS for MgO - Daniel Spencer | 1 |
| 13:33, 1 November 2014 | Dms mgo phonondos 16x16x16.jpg (file) |  |
25 KB | 16 x 16 x 16 Phonon DOS for MgO - Daniel Spencer | 1 |
| 14:42, 28 October 2014 | Dms mgo phonondos 1x1x1.jpg (file) |  |
24 KB | Phonon DOS 1x1x1 for DMS305 | 1 |
| 14:25, 28 October 2014 | Dms phonon dispersion.jpg (file) |  |
30 KB | Phonon dispersion graph for DMS305 | 1 |
