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Uploads by Jh6415

This special page shows all uploaded files.

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Date Name Thumbnail Size Description Versions
13:51, 16 March 2018 Jh6415 Lit MD Vol vs Temp.png (file) 42 KB   1
13:42, 16 March 2018 Jh6415 Lit MD Therm Exp.png (file) 37 KB   1
11:47, 16 March 2018 Jh6415 Lit LD Therm Exp.png (file) 42 KB   1
17:37, 15 March 2018 Jh6415 MD Vol v Temp.png (file) 16 KB   1
16:51, 15 March 2018 Jh6415 Vol vs Temp Comparison Lin Fit.png (file) 25 KB   1
16:50, 15 March 2018 Jh6415 Vol vs Temp Comparison.png (file) 17 KB   1
18:33, 9 March 2018 Jh6415 Expansion Coefficient against Temp 25 Grid.png (file) 18 KB   1
21:10, 8 March 2018 Jh6415 Cell Vol vs Temp Plot.png (file) 17 KB   1
20:06, 8 March 2018 Jh6415 Lattice Constant vs Temp Plot.png (file) 18 KB   1
20:04, 8 March 2018 Jh6415 Free Energy vs Temp Plot.png (file) 16 KB   1
20:02, 8 March 2018 Jh6415 Free Energy vs Grid Size Plot.png (file) 16 KB   1
12:56, 7 March 2018 Jh6415 Primitive 5x5 Cell.png (file) 160 KB   1
12:54, 7 March 2018 Jh6415 Primitive 1x1 Cell.png (file) 30 KB   1
12:53, 7 March 2018 Jh6415 MgO Phonon Dispersion Curve.png (file) 8 KB   1
12:52, 7 March 2018 Jh6415 DOS 50x50x50.png (file) 5 KB   1
12:52, 7 March 2018 Jh6415 DOS 25x25x25.png (file) 5 KB   1
12:51, 7 March 2018 Jh6415 DOS 10x10x10.png (file) 6 KB   1
12:51, 7 March 2018 Jh6415 DOS 8x8x8.png (file) 5 KB   1
12:50, 7 March 2018 Jh6415 DOS 6x6x6.png (file) 5 KB   1
12:50, 7 March 2018 Jh6415 DOS 5x5x5.png (file) 5 KB   1
12:33, 7 March 2018 Jh6415 DOS 4x4x4.png (file) 5 KB   1
12:33, 7 March 2018 Jh6415 DOS 3x3x3.png (file) 5 KB   1
12:32, 7 March 2018 Jh6415 DOS 2x2x2.png (file) 4 KB   1
12:31, 7 March 2018 Jh6415 DOS 1x1x1.png (file) 5 KB   1
12:30, 7 March 2018 Jh6415 Conventional 5x5 Cell.png (file) 211 KB   1
12:29, 7 March 2018 Jh6415 Conventional 1x1 Cell.png (file) 92 KB   1
12:19, 7 March 2018 Jh6415 32 unit MgO Cell.png (file) 138 KB   1
19:58, 13 February 2018 Jh6415 Exercise 2 Endo MO Diagram (corrected).png (file) 220 KB   1
10:25, 11 February 2018 Jh6415 Intro Transition State Diagram.png (file) 42 KB   1
10:24, 11 February 2018 Jh6415 Intro Transition State Diagram.cdx (file) 62 KB   1
17:01, 10 February 2018 Jh6415 Further Work Scheme.png (file) 34 KB   1
15:02, 10 February 2018 Jh6415 Exercise 3 Energy Level Diagram.png (file) 73 KB   1
15:01, 10 February 2018 Jh6415 Exercise 3 Energy Level Diagram.cdx (file) 5 KB   1
09:55, 10 February 2018 Jh6415 Exercise 2 Endo MO Diagram.png (file) 220 KB   1
09:26, 10 February 2018 Jh6415 Exercise 2 Exo MO Diagram.png (file) 223 KB   1
17:16, 9 February 2018 Jh6415 Further Electrocyclic GIF.gif (file) 1.75 MB   1
17:13, 9 February 2018 Jh6415 ELECTROCYCLIC TS PM6 OPT TS.LOG (file) 1.52 MB   1
17:12, 9 February 2018 Jh6415 ELECTROCYCLIC TS PM6 IRC.LOG (file) 2.69 MB   1
17:12, 9 February 2018 Jh6415 ELECTROCYCLIC PRODUCT OPTIMISED.LOG (file) 839 KB   1
17:04, 9 February 2018 Jh6415 ELECTROCYCLIC REACTANT OPTIMISED.LOG (file) 643 KB   1
14:18, 9 February 2018 Jh6415 XYLYLENE REACTANT OPTIMISED PM6.LOG (file) 257 KB   1
14:16, 9 February 2018 Jh6415 SO2 REACTANT OPTIMISED PM6.LOG (file) 66 KB   1
11:39, 9 February 2018 Jh6415 DIOXOLE OPTIMISED B3LYP ATTEMPT 2.LOG (file) 794 KB   1
10:04, 9 February 2018 Jh6415 Ex 3 Alternate Exo IRC GIF.gif (file) 873 KB   1
10:03, 9 February 2018 Jh6415 Ex 3 Alternate Endo IRC GIF.gif (file) 968 KB   1
10:02, 9 February 2018 Jh6415 Ex 3 Exo DA IRC GIF.gif (file) 1.32 MB   1
10:01, 9 February 2018 Jh6415 Ex 3 Endo DA IRC GIF.gif (file) 1.02 MB   1
10:01, 9 February 2018 Jh6415 Cheletropic IRC GIF.gif (file) 1.72 MB   1
09:48, 9 February 2018 Jh6415 Ex 1 DA IRC GIF.gif (file) 589 KB   1
18:10, 8 February 2018 Jh6415 EXO DA TS PM6 IRC.LOG (file) 1.27 MB   1
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