Uploads by Mss3117
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This special page shows all uploaded files.
Date | Name | Thumbnail | Size | Description | Versions |
---|---|---|---|---|---|
19:02, 14 May 2019 | Trajectories from r1 Reverse.PNG (file) | 134 KB | 1 | ||
19:02, 14 May 2019 | Trajectories from r1 MEP reverse.PNG (file) | 134 KB | 1 | ||
17:17, 14 May 2019 | H HF Transition State.PNG (file) | 144 KB | 7 | ||
17:16, 14 May 2019 | F H2 Transition State.PNG (file) | 154 KB | 6 | ||
16:54, 14 May 2019 | Traansition State Minimum.PNG (file) | 137 KB | 1 | ||
13:39, 14 May 2019 | Contour Graph 5 Table.PNG (file) | 141 KB | 1 | ||
13:38, 14 May 2019 | Contour Graph 4 Table.PNG (file) | 141 KB | 1 | ||
13:38, 14 May 2019 | Contour Graph 3 Table.PNG (file) | 137 KB | 1 | ||
13:37, 14 May 2019 | Contour Graph 2 Table.PNG (file) | 135 KB | 1 | ||
13:37, 14 May 2019 | Contour Graph 1 Table.PNG (file) | 137 KB | 1 | ||
13:33, 14 May 2019 | Trajectories from r1 Dynamics Distance Time.PNG (file) | 24 KB | 1 | ||
13:20, 14 May 2019 | Trajectories from r1 MEP.PNG (file) | 134 KB | 1 | ||
13:17, 14 May 2019 | Trajectories from r1 Dynamics.PNG (file) | 134 KB | 1 | ||
13:14, 14 May 2019 | Locating Transition State Time Distance.PNG (file) | 15 KB | 1 | ||
13:11, 14 May 2019 | Locating Transition State Contour.PNG (file) | 131 KB | 1 | ||
13:07, 14 May 2019 | Exercise 1 PE Surface Diagram Minimum View.PNG (file) | 97 KB | 1 | ||
13:00, 14 May 2019 | Exercise 1 PE Surface Diagram.PNG (file) | 199 KB | 1 | ||
16:31, 10 May 2019 | MO Diagrams.PNG (file) | 221 KB | 1 | ||
14:45, 9 May 2019 | PMe4 Charge.PNG (file) | 26 KB | 2 | ||
14:44, 9 May 2019 | NMe4 Summary.PNG (file) | 11 KB | 3 | ||
14:36, 9 May 2019 | NMe4 Charge Distribution.PNG (file) | 26 KB | 1 | ||
13:34, 9 May 2019 | PMe4 Summary.PNG (file) | 9 KB | 2 | ||
13:32, 9 May 2019 | PME4 FREQUENCY.LOG (file) | ![]() |
88 KB | 1 | |
13:14, 9 May 2019 | MSS NI3 OPTIMISATION.LOG (file) | ![]() |
66 KB | 4 | |
13:01, 9 May 2019 | OPTIMISATION OF NME4.LOG (file) | ![]() |
120 KB | 2 | |
12:54, 9 May 2019 | NME4 FREQUENCY.LOG (file) | ![]() |
87 KB | 1 | |
11:50, 9 May 2019 | MSS NI3 FREQUENCY.LOG (file) | ![]() |
40 KB | 3 | |
11:44, 9 May 2019 | NH3BH3 FREQUENCY.LOG (file) | ![]() |
38 KB | 12 | |
11:43, 9 May 2019 | NH3 FREQUENCY.LOG (file) | ![]() |
26 KB | 10 | |
11:41, 9 May 2019 | MSS BH FREQUENCY 621G DP.LOG (file) | ![]() |
73 KB | 3 | |
18:06, 7 May 2019 | NH3BH3 Summary.PNG (file) | 10 KB | 1 | ||
17:56, 7 May 2019 | NH3 OPTIMISATION.LOG (file) | ![]() |
48 KB | 33 | |
16:42, 7 May 2019 | NH3 Summary Table.PNG (file) | 10 KB | 1 | ||
16:05, 7 May 2019 | BH3 MO Diagram.png (file) | ![]() |
119 KB | 5 | |
15:48, 7 May 2019 | BH3 IR Spectrum 621G.PNG (file) | 22 KB | 2 | ||
14:21, 7 May 2019 | MSS BH OPT 621G DP.LOG (file) | ![]() |
58 KB | 1 | |
13:46, 7 May 2019 | BH3 621G Summary.PNG (file) | 11 KB | 1 | ||
13:39, 7 May 2019 | Gaussian 621G Summary Table.PNG (file) | 11 KB | 2 | ||
13:19, 7 May 2019 | BH3-621G-Summary.PNG (file) | 10 KB | 1 | ||
13:04, 7 May 2019 | BH3 optimisation 621g summary results.txt (file) | ![]() |
475 bytes | 1 | |
09:52, 9 March 2018 | Methane MO 5.PNG (file) | 101 KB | 1 | ||
09:52, 9 March 2018 | Methane MO 4.PNG (file) | 97 KB | 1 | ||
09:51, 9 March 2018 | Methane MO 3.PNG (file) | 107 KB | 1 | ||
09:45, 9 March 2018 | Methane MO 2.PNG (file) | 80 KB | 1 | ||
09:34, 9 March 2018 | Methane MO 1.PNG (file) | 41 KB | 1 | ||
06:15, 9 March 2018 | MSS3117 O2 OPTF POP.LOG (file) | ![]() |
198 KB | 1 | |
02:19, 9 March 2018 | MSHAHID H2 OPTF POP.LOG (file) | ![]() |
103 KB | 4 | |
02:16, 9 March 2018 | MSS3117 CH4 OPTF POP.LOG (file) | ![]() |
242 KB | 2 | |
02:15, 9 March 2018 | MSS3117 ch4 optf pop.gjf (file) | ![]() |
524 bytes | 1 | |
02:06, 9 March 2018 | MSHAHID N2 OPTF POP.LOG (file) | ![]() |
205 KB | 2 |