Uploads by Jrc10
This special page shows all uploaded files.
| Date | Name | Thumbnail | Size | Description | Versions |
|---|---|---|---|---|---|
| 15:37, 8 February 2013 | CRON Endo IRC grad.jpg (file) |  |
179 KB | IRC graphed result | 1 |
| 15:36, 8 February 2013 | CRON Endo IRC energy.jpg (file) |  |
156 KB | IRC graphed result | 1 |
| 15:32, 8 February 2013 | CRON ENDO TS IRC 50 V2.LOG (file) |  |
1,001 KB | .log file with IRC of Endo reaction profile | 1 |
| 15:29, 8 February 2013 | Endo ts IRC 50 v2.gjf (file) | |
2 KB | IRC of Endo reaction | 1 |
| 16:44, 7 February 2013 | CRON Endo ts homo.jpg (file) |  |
173 KB | jpg of homo of ts | 1 |
| 16:44, 7 February 2013 | CRON Exo ts homo.jpg (file) |  |
162 KB | jpg of homo of ts | 1 |
| 16:31, 7 February 2013 | CRON Exo ts.jpg (file) |  |
82 KB | jpg of transition state with key C-H interaction shown | 1 |
| 16:31, 7 February 2013 | CRON Endo ts.jpg (file) |  |
84 KB | jpg of transition state with key C-H interaction shown | 1 |
| 15:28, 7 February 2013 | CRON EXO TS BERNY.LOG (file) | |
1.11 MB | .log file of exo transition state calculation | 1 |
| 15:18, 7 February 2013 | CRON Exo ts top.gif (file) |  |
782 KB | GIF of exo transition state | 1 |
| 15:18, 7 February 2013 | CRON Exo ts side.gif (file) |  |
573 KB | GIF of exo transition state | 1 |
| 15:02, 7 February 2013 | CRON Endo ts top.gif (file) |  |
1.07 MB | 2 | |
| 15:02, 7 February 2013 | CRON Endo ts side.gif (file) |  |
618 KB | 3 | |
| 16:16, 6 February 2013 | CRON Exo product.mol (file) | |
2 KB | Jmol of endo/exo product (as per url) | 1 |
| 16:16, 6 February 2013 | CRON Endo product.mol (file) | |
2 KB | Jmol of endo/exo product (as per url) | 1 |
| 09:41, 6 February 2013 | CRON Diels alder labels.jpg (file) |  |
126 KB | diels alder transition state labels | 1 |
| 09:37, 6 February 2013 | CRON Diels alder homo.pdf (file) |  |
148 KB | 3 | |
| 17:01, 5 February 2013 | CRON Woodman prediction.pdf (file) | |
29 KB | PDF of woodman prediction | 1 |
| 16:08, 5 February 2013 | CRON Diels alder homo.jpg (file) |  |
149 KB | .jpg of the diels alder transition state | 1 |
| 15:24, 5 February 2013 | CRON Diels alder transition side.gif (file) |  |
1.23 MB | 2 | |
| 15:20, 5 February 2013 | CRON Diels alder transition top.gif (file) |  |
1.82 MB | GIF of diels alder transition state | 1 |
| 15:06, 5 February 2013 | CRON DIELS ALDER TS V7.LOG (file) | |
1.01 MB | .log file of butadiene and ethene diels-alder transition state | 1 |
| 16:35, 4 February 2013 | CRON Ethene lumo.jpg (file) |  |
108 KB | .jpg of ethene mo | 1 |
| 16:35, 4 February 2013 | CRON Ethene homo.jpg (file) |  |
94 KB | .jpg of ethene mo | 1 |
| 16:13, 4 February 2013 | CRON Butadiene lumo plus1.jpg (file) |  |
95 KB | .jpg of butadiene molecular orbital | 1 |
| 16:13, 4 February 2013 | CRON Butadiene lumo.jpg (file) |  |
89 KB | .jpg of butadiene molecular orbital | 1 |
| 16:13, 4 February 2013 | CRON Butadiene homo-1.jpg (file) |  |
87 KB | .jpg of butadiene molecular orbital | 1 |
| 16:13, 4 February 2013 | CRON Butadiene homo.jpg (file) |  |
94 KB | .jpg of butadiene molecular orbital | 1 |
| 14:43, 4 February 2013 | CRON Butadiene Opt freq.mol (file) | |
1,007 bytes | Jmol of cis Butadiene | 1 |
| 14:39, 4 February 2013 | CRON Butadiene Opt+freq.mol (file) | |
1,007 bytes | Jmol of optimized cis-butadiene | 1 |
| 18:40, 3 February 2013 | CRON CHAIR TS 631G D V3.LOG (file) | |
232 KB | .log file of chair optimized at DFD/6-31 | 1 |
| 16:54, 3 February 2013 | CRON BOAT TS 631G D.LOG (file) | |
311 KB | .log file of boat optimization with 6-31G basis set | 1 |
| 16:10, 1 February 2013 | CRON Chair IRC grad.jpg (file) |  |
164 KB | IRC of chair to 1,5-hexadiene | 1 |
| 16:10, 1 February 2013 | CRON Chair IRC energy.jpg (file) |  |
152 KB | IRC of chair to 1,5-hexadiene | 1 |
| 16:01, 1 February 2013 | CRON Chair IRC grad.svg (file) |  |
19 KB | 2 | |
| 16:00, 1 February 2013 | CRON Chair IRC energy.svg (file) |  |
19 KB | 2 | |
| 14:49, 31 January 2013 | CRON Boat QST2 2.gif (file) |  |
1.8 MB | GIF of boat transition state in cope rearrangement. | 1 |
| 14:28, 31 January 2013 | CRON Boat QST2 2.mol (file) | |
2 KB | 2 | |
| 14:27, 31 January 2013 | CRON Boat QST2 1.mol (file) | |
2 KB | 3 | |
| 14:53, 30 January 2013 | CRON Chair ts frozen 2.gif (file) |  |
1.57 MB | GIF of frozen resolved transition state of chair | 1 |
| 14:49, 30 January 2013 | Chair ts frozen 2.mol (file) | |
2 KB | Jmol of chair transition state from frozen method | 1 |
| 11:16, 30 January 2013 | CRON Chair ts Berny imag.gif (file) |  |
1.77 MB | GIF of Cope rearrangement of Chair white background | 2 |
| 10:54, 30 January 2013 | CRON Chair ts Berny.mol (file) | |
2 KB | Jmol of hessian optimized chair | 1 |
| 17:21, 29 January 2013 | CRON Allyl Optimization.mol (file) | |
819 bytes | Jmol of optimized Allyl | 1 |
| 17:25, 28 January 2013 | CRON 15 hexadiene gau optimization.mol (file) | |
2 KB | Jmol of hexadiene gauche conformer | 1 |
| 16:52, 28 January 2013 | CRON 15 HEXADIENE APP1 OPTIMIZATION.mol (file) | |
2 KB | Jmol of optimized hexadiene app | 1 |
| 11:54, 25 January 2013 | CRON Borazine MO20.pdf (file) | |
28 KB | LCAO file | 1 |
| 11:54, 25 January 2013 | CRON Borazine MO19.pdf (file) | |
32 KB | LCAO file | 1 |
| 11:54, 25 January 2013 | CRON Boratabenzene MO20.pdf (file) | |
28 KB | LCAO file | 1 |
| 11:54, 25 January 2013 | CRON Benzene MO20.pdf (file) | |
28 KB | LCAO file | 1 |
