Uploads by Zh2613
This special page shows all uploaded files.
| Date | Name | Thumbnail | Size | Description | Versions |
|---|---|---|---|---|---|
| 14:06, 27 January 2016 | TS built berny front.PNG (file) |  |
26 KB | 1 | |
| 14:06, 27 January 2016 | TS built berny sideview.PNG (file) |  |
14 KB | 1 | |
| 13:45, 27 January 2016 | TS BUILT BERNY AM1 OPT FREQ.LOG (file) |  |
476 KB | 1 | |
| 13:44, 27 January 2016 | TS built berny summary.PNG (file) |  |
15 KB | 1 | |
| 13:43, 27 January 2016 | TS BUILT BERNY AM1 OPT&FREQ.LOG (file) | |
476 KB | 1 | |
| 13:28, 27 January 2016 | Ethene AM1 LUMO 3D.PNG (file) |  |
205 KB | 1 | |
| 13:28, 27 January 2016 | Ethene AM1 HOMO 3D.PNG (file) |  |
190 KB | 1 | |
| 13:28, 27 January 2016 | ButaD AM1 LUMO 3D.PNG (file) |  |
114 KB | 1 | |
| 13:27, 27 January 2016 | ButaD AM1 HOMO 3D.PNG (file) |  |
121 KB | 1 | |
| 13:04, 27 January 2016 | Ethene AM1 summary.PNG (file) |  |
14 KB | 1 | |
| 13:04, 27 January 2016 | ButaD AM1 summary.PNG (file) |  |
29 KB | 1 | |
| 12:58, 27 January 2016 | ETHENE AM1 OPT FREQ ZH2613.LOG (file) | |
100 KB | 1 | |
| 12:58, 27 January 2016 | ETHENE AM1 OPT FREQ.LOG (file) | |
100 KB | 2 | |
| 12:56, 27 January 2016 | BUTAD SEMIE AM1 OPT FREQ.LOG (file) | |
120 KB | 1 | |
| 12:54, 27 January 2016 | BUTAD SEMIE AM1 OPT&FREQ.LOG (file) | |
120 KB | 1 | |
| 12:54, 27 January 2016 | ETHENE AM1 OPT&FREQ.LOG (file) | |
100 KB | 1 | |
| 12:36, 27 January 2016 | QST2 Opt&freq HF 3-21g Boat.PNG (file) |  |
36 KB | 1 | |
| 12:35, 27 January 2016 | TS side.PNG (file) |  |
24 KB | 2 | |
| 15:07, 26 January 2016 | GEO43 IRC OPTIMISATION OPT FREQ HF321G.LOG (file) | |
236 KB | 1 | |
| 15:05, 26 January 2016 | GEO43 IRC OPTIMISATION OPT&FREQ HF321G.LOG (file) | |
236 KB | 1 | |
| 14:37, 26 January 2016 | IRC total energy.PNG (file) |  |
17 KB | 1 | |
| 14:37, 26 January 2016 | IRC RMS Gradient Norm.PNG (file) |  |
18 KB | 1 | |
| 13:45, 26 January 2016 | QST2 mod labelled R P.PNG (file) |  |
60 KB | 1 | |
| 13:45, 26 January 2016 | QST2 labelled R P.PNG (file) |  |
49 KB | 1 | |
| 13:40, 26 January 2016 | BOAT MODIFIED QST2 HF 3-21G OPT FREQ.LOG (file) | |
618 KB | 1 | |
| 13:40, 26 January 2016 | BOAT QST2 HF 3-21G OPT FREQ.LOG (file) | |
347 KB | 1 | |
| 13:38, 26 January 2016 | BOAT MODIFIED QST2 HF 3-21G OPT&FREQ.LOG (file) | |
618 KB | 1 | |
| 13:31, 26 January 2016 | BOAT QST2 HF 3-21G OPT&FREQ.LOG (file) | |
347 KB | 1 | |
| 12:52, 26 January 2016 | COPE CHAIR TS OPTIMISE FROZEN OPT.LOG (file) | |
150 KB | 1 | |
| 14:53, 25 January 2016 | TS side labelled.PNG (file) |  |
36 KB | 1 | |
| 14:27, 25 January 2016 | COPE CHAIR TS FROMBUILDER OPTFREQ.LOG (file) | |
303 KB | 1 | |
| 14:18, 25 January 2016 | COPE CHAIR TS FROMBUILDER OPT&FREQ.LOG (file) | |
303 KB | 1 | |
| 13:41, 25 January 2016 | Chair from builder ngtv frequency.gif (file) |  |
637 KB | 1 | |
| 13:01, 25 January 2016 | Allyl fragment front.PNG (file) |  |
17 KB | 1 | |
| 13:01, 25 January 2016 | COPE C3H5 TS HF 3-21G.LOG (file) | |
73 KB | 1 | |
| 11:51, 25 January 2016 | COPE 1 5 HEXADIENE ANTI B3LYP 6-31GD.LOG (file) | |
182 KB | 1 | |
| 13:55, 22 January 2016 | Anti labelled.PNG (file) |  |
49 KB | 1 | |
| 13:20, 22 January 2016 | COPE 1 5 HEXADIENE LOWEST3.LOG (file) | |
151 KB | 1 | |
| 15:17, 21 January 2016 | COPE 1 5 HEXADIENE GAUCHE.LOG (file) | |
152 KB | 1 | |
| 15:02, 21 January 2016 | COPE 1 5 HEXADIENE ANTI.LOG (file) | |
175 KB | 1 | |
| 11:04, 20 November 2015 | 0.001 TotEng vs t.png (file) |  |
14 KB | 2 | |
| 11:03, 20 November 2015 | 0.001 equilibration p against t.png (file) |  |
6 KB | 4 | |
| 11:02, 20 November 2015 | 0.001 eq temp vs t.png (file) |  |
8 KB | 1 | |
| 11:01, 20 November 2015 | 0.001 eq TotEg vs t.png (file) |  |
10 KB | 1 | |
| 10:43, 20 November 2015 | Part2 equations.PNG (file) |  |
39 KB | 2 | |
| 23:08, 19 November 2015 | Sol integrals.PNG (file) |  |
11 KB | 1 | |
| 23:07, 19 November 2015 | Liq integrals.PNG (file) |  |
10 KB | 1 | |
| 23:07, 19 November 2015 | Vap integrals.PNG (file) |  |
13 KB | 1 | |
| 21:55, 19 November 2015 | FCC.PNG (file) |  |
9 KB | 1 | |
| 20:29, 19 November 2015 | VACFs.PNG (file) |  |
26 KB | 1 |
