Uploads by By1517
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Date | Name | Thumbnail | Size | Description | Versions |
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10:39, 19 February 2018 | 01352784 NH3 optimization.txt (file) | ![]() |
228 KB | Gaussian NH3 Optimization Log | 1 |
11:08, 19 February 2018 | 01352784 NH3 Optimization vibrations.PNG (file) | 41 KB | 1 | ||
11:19, 19 February 2018 | 01352784 NH3 Charge Analysis.PNG (file) | 43 KB | 1 | ||
12:21, 19 February 2018 | 01352784 N2 optimization.txt (file) | ![]() |
219 KB | 1 | |
12:34, 19 February 2018 | 01352784 N2 Optimization vibrations.PNG (file) | 31 KB | 1 | ||
12:41, 19 February 2018 | 01352784 H2 optimization.txt (file) | ![]() |
103 KB | 2 | |
12:49, 19 February 2018 | H2 Vibrational Analysis.PNG (file) | 27 KB | 1 | ||
12:50, 19 February 2018 | 01352784 H2 Optimization vibrations.PNG (file) | 27 KB | 1 | ||
10:52, 22 February 2018 | 01352784 CN- optimization.txt (file) | ![]() |
219 KB | 1 | |
11:21, 22 February 2018 | 01352784 CN- Optimization vibrations.PNG (file) | 33 KB | 1 | ||
11:22, 22 February 2018 | 01352784 CN- Optimization vibrations.gif (file) | ![]() |
408 KB | 1 | |
11:29, 22 February 2018 | 01352784 CN- charge analysis.PNG (file) | 34 KB | 1 | ||
09:20, 23 February 2018 | 01352784 CN- MO 1pi.PNG (file) | 366 KB | 1 | ||
09:20, 23 February 2018 | 01352784 CN- MO 1pi2.PNG (file) | 367 KB | 1 | ||
09:21, 23 February 2018 | 01352784 CN- MO 3sigma.PNG (file) | 260 KB | 1 | ||
09:21, 23 February 2018 | 01352784 CN- MO 4sigma.PNG (file) | 336 KB | 1 | ||
09:22, 23 February 2018 | 01352784 CN- MO 5sigma.PNG (file) | 308 KB | 1 | ||
09:34, 23 February 2018 | 01352784 CN- MO 1s C.PNG (file) | 115 KB | 1 | ||
09:34, 23 February 2018 | 01352784 CN- MO 1s N.PNG (file) | 106 KB | 1 | ||
12:06, 23 February 2018 | 01352784 H2SiO optimization.txt (file) | ![]() |
350 KB | 1 | |
12:16, 23 February 2018 | 01352784 H2SiO Optimization vibrations.gif (file) | ![]() |
34 KB | 1 | |
12:18, 23 February 2018 | 01352784 H2SiO charge analysis.PNG (file) | 67 KB | 1 | ||
12:20, 23 February 2018 | 01352784 H2SiO Optimization vibrations.PNG (file) | 34 KB | 1 | ||
13:54, 7 May 2019 | Reaction path mep.png (file) | ![]() |
120 KB | 1 | |
13:54, 7 May 2019 | Reaction path dynamic.png (file) | ![]() |
121 KB | 1 | |
14:03, 7 May 2019 | Rts intermolecular distance plot.png (file) | ![]() |
11 KB | 2 | |
10:14, 9 May 2019 | AE to H2.png (file) | ![]() |
17 KB | 1 | |
10:15, 9 May 2019 | AE to HF.png (file) | ![]() |
19 KB | 1 | |
11:21, 9 May 2019 | FHH momentum.png (file) | ![]() |
33 KB | 1 | |
11:21, 9 May 2019 | FHH energy.png (file) | ![]() |
30 KB | 1 | |
11:23, 9 May 2019 | HHHtrajectory1.png (file) | ![]() |
110 KB | 1 | |
11:24, 9 May 2019 | HHHtrajectory2.png (file) | ![]() |
109 KB | 1 | |
11:24, 9 May 2019 | HHHtrajectory3.png (file) | ![]() |
110 KB | 1 | |
11:24, 9 May 2019 | HHHtrajectory4.png (file) | ![]() |
115 KB | 1 | |
11:24, 9 May 2019 | HHHtrajectory5.png (file) | ![]() |
116 KB | 1 | |
11:28, 9 May 2019 | FHH trajectory.png (file) | ![]() |
118 KB | 1 | |
14:46, 9 May 2019 | 170KEH2.png (file) | ![]() |
113 KB | 1 | |
14:58, 9 May 2019 | 142KEH2.png (file) | ![]() |
113 KB | 1 | |
15:44, 9 May 2019 | Lowkeh2.png (file) | ![]() |
138 KB | 1 | |
16:07, 9 May 2019 | LowvibeHF.png (file) | ![]() |
122 KB | 1 | |
16:41, 9 May 2019 | ReversedHHH.png (file) | ![]() |
108 KB | 1 | |
17:27, 9 May 2019 | Initialequalfinaltrajectory.png (file) | ![]() |
108 KB | 1 | |
17:27, 9 May 2019 | Reversedmomenta.png (file) | ![]() |
25 KB | 1 | |
17:28, 9 May 2019 | Reverseddistance.png (file) | ![]() |
21 KB | 1 | |
12:11, 15 May 2019 | By1517BH3 info.PNG (file) | 14 KB | 1 | ||
12:29, 15 May 2019 | BY BH3 FREQ.LOG (file) | ![]() |
73 KB | 2 | |
15:21, 15 May 2019 | By1517BY NH3 OPT+FREQ.LOG (file) | ![]() |
70 KB | 1 | |
15:25, 15 May 2019 | By1517NH3 info.PNG (file) | 13 KB | 1 | ||
15:34, 15 May 2019 | By1517NH3BH3 info.PNG (file) | 13 KB | 1 | ||
15:35, 15 May 2019 | By1517BY BH3NH3 OPT+FREQ.LOG (file) | ![]() |
136 KB | 1 |