Uploads by Sjp115
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This special page shows all uploaded files.
Date | Name | Thumbnail | Size | Description | Versions |
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14:20, 20 March 2018 | SJP115 DIENE B3LYP 631GD.LOG (file) | ![]() |
1.24 MB | 1 | |
10:22, 20 March 2018 | SJP115 Reaction Scheme EX2.PNG (file) | 8 KB | 1 | ||
21:40, 19 March 2018 | SJP115 Exercise2 Endo Mo.PNG (file) | 53 KB | 1 | ||
21:16, 19 March 2018 | SJP115 Extension IRC Path.gif (file) | ![]() |
1.04 MB | 1 | |
20:58, 19 March 2018 | SJP115 Extension TS PM6 2.LOG (file) | ![]() |
1.57 MB | 1 | |
20:03, 19 March 2018 | SJP115 Ex3 Endo TS B3LYP 631GD NOPTEIGEN.LOG (file) | ![]() |
3.69 MB | 1 | |
19:50, 19 March 2018 | SJP115 Ex2 Exo TS B3LYP 631GD.LOG (file) | ![]() |
3.55 MB | 1 | |
19:37, 19 March 2018 | SJP115 Reaction Scheme Ex3.PNG (file) | 15 KB | 1 | ||
19:23, 19 March 2018 | SJP115 Reaction Energies Exercise 3.PNG (file) | 22 KB | 1 | ||
15:59, 19 March 2018 | SJP115 Alternative Path Endo EX3.gif (file) | ![]() |
175 KB | 1 | |
15:58, 19 March 2018 | SJP115 Alternative Path Exo EX3.gif (file) | ![]() |
177 KB | 1 | |
15:48, 19 March 2018 | SJP115 Cheleo Correct Order Exercise 3.gif (file) | ![]() |
970 KB | 1 | |
15:41, 19 March 2018 | SJP115 EXO Correct Order Exercise 3.gif (file) | ![]() |
588 KB | 3 | |
14:34, 19 March 2018 | SJP115 Bond Distance Graph.PNG (file) | 20 KB | 1 | ||
10:03, 19 March 2018 | SJP115 DIOXANE BY3.LOG (file) | ![]() |
866 KB | 1 | |
09:08, 19 March 2018 | SJP115 TS PM6 2.LOG (file) | ![]() |
360 KB | 1 | |
09:03, 19 March 2018 | SJP115 BUTADIENE PM6 2.LOG (file) | ![]() |
195 KB | 1 | |
09:02, 19 March 2018 | SJP115 BUTADIENE PM6.LOG (file) | ![]() |
195 KB | 1 | |
17:39, 10 March 2018 | SJP115 Exercise1 RX Scheme.PNG (file) | 5 KB | 1 | ||
17:31, 10 March 2018 | SJP115 TS PM6 SYMBROKEN2.LOG (file) | ![]() |
672 KB | 1 | |
17:31, 10 March 2018 | SJP115 ETHENE.LOG (file) | ![]() |
122 KB | 1 | |
17:29, 10 March 2018 | SJP115 TS IRC.LOG (file) | ![]() |
812 KB | 1 | |
17:27, 10 March 2018 | SJP115 TS PM6.LOG (file) | ![]() |
378 KB | 1 | |
17:26, 10 March 2018 | TS PM6 SYMBROKEN.LOG (file) | ![]() |
672 KB | 3 | |
17:23, 10 March 2018 | SJP115 BUTADIENE2.LOG (file) | ![]() |
162 KB | 1 | |
19:35, 10 February 2018 | MgO Comparison.PNG (file) | 17 KB | 3 | ||
17:48, 10 February 2018 | MgO MD Alpha.PNG (file) | 24 KB | 2 | ||
14:14, 9 February 2018 | MgO Alpha Lit MD.PNG (file) | 64 KB | 1 | ||
10:59, 9 February 2018 | MgO DOS equation.PNG (file) | 2 KB | 1 | ||
17:55, 8 February 2018 | MgO MD Volume Lit.PNG (file) | 43 KB | 1 | ||
13:47, 8 February 2018 | MgO molecular dynamics Volume.PNG (file) | 23 KB | 1 | ||
12:05, 8 February 2018 | MgO Temp Harmonic Well.PNG (file) | 20 KB | 1 | ||
11:11, 8 February 2018 | MgO Volumetric Expansion Coefficient.PNG (file) | 26 KB | 1 | ||
09:34, 8 February 2018 | Mg FE 2.PNG (file) | 6 KB | 1 | ||
09:28, 8 February 2018 | MgO FE.PNG (file) | 40 KB | 1 | ||
21:25, 7 February 2018 | Screenshot from 2018-02-07 21-24-08.png (file) | ![]() |
45 KB | 1 | |
16:26, 7 February 2018 | Screenshot from 2018-02-07 16-25-17.png (file) | ![]() |
9 KB | 1 | |
15:37, 7 February 2018 | Screenshot from 2018-02-07 15-36-03.png (file) | ![]() |
27 KB | 1 | |
14:27, 6 February 2018 | MgO Linear Expansion.PNG (file) | 18 KB | 1 | ||
13:40, 6 February 2018 | MgO Model MD.PNG (file) | 151 KB | 1 | ||
12:48, 6 February 2018 | MgO MD Vs LD.PNG (file) | 27 KB | 1 | ||
12:24, 6 February 2018 | MgO Linear Fit.PNG (file) | 20 KB | 1 | ||
19:46, 5 February 2018 | MgO Lattice Constant Vs Temp.PNG (file) | 18 KB | 2 | ||
19:22, 5 February 2018 | MgO Temp Vs Conventional Cell.PNG (file) | 17 KB | 1 | ||
17:23, 5 February 2018 | MgO Frequency Eq.PNG (file) | 3 KB | 1 | ||
16:30, 5 February 2018 | MgO Reference Phonon Dispersion.PNG (file) | 31 KB | 2 | ||
16:04, 5 February 2018 | MgO Thermal Expansion Eq.PNG (file) | 2 KB | 1 | ||
15:42, 5 February 2018 | MgO Helmholtz Free Energy Equation.PNG (file) | 7 KB | 1 | ||
14:53, 5 February 2018 | MgO Free Energy With Grid Size.PNG (file) | 14 KB | 1 | ||
12:26, 5 February 2018 | MgO Primitive Cell.PNG (file) | 11 KB | 1 |