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Uploads by Py714

This special page shows all uploaded files.

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Date Name Thumbnail Size Description Versions
11:51, 8 February 2017 Graph py714asda.PNG (file) 12 KB   1
11:50, 8 February 2017 Vol v temp md ld.PNG (file) 12 KB   1
19:09, 7 February 2017 Md ld graph py714.PNG (file) 12 KB   1
21:02, 5 February 2017 Md volume v temp py714.PNG (file) 16 KB   1
20:42, 5 February 2017 Volume v temp py714.PNG (file) 14 KB   1
14:06, 5 February 2017 Lattice constant vs temp py714.PNG (file) 14 KB   1
14:05, 5 February 2017 Energy vs temp py714.PNG (file) 16 KB   1
13:00, 5 February 2017 Phonon dispersion py714.PNG (file) 17 KB   1
12:56, 5 February 2017 Super cell py714.PNG (file) 135 KB   1
12:53, 5 February 2017 Conventional py714.PNG (file) 132 KB   1
12:52, 5 February 2017 Super lattice py714.PNG (file) 152 KB   1
12:51, 5 February 2017 Primitive better py714.PNG (file) 33 KB   1
12:32, 5 February 2017 64 py714 dos.PNG (file) 13 KB   1
12:30, 5 February 2017 32 py714 dos.PNG (file) 13 KB   1
12:29, 5 February 2017 16 py714 dos.PNG (file) 13 KB   1
12:28, 5 February 2017 888 py714 dos.PNG (file) 13 KB   1
12:28, 5 February 2017 444 py714 dos.PNG (file) 14 KB   1
12:27, 5 February 2017 222 py714 dos.PNG (file) 12 KB   1
12:25, 5 February 2017 111 py714 dos.PNG (file) 12 KB   1
11:26, 15 December 2016 Pvy714 exercise 3 Reaction profile.pdf (file) 2 KB   1
11:13, 15 December 2016 Pvy714 exercise 1 Updated mos 2.gif (file) 22 KB   1
19:59, 14 December 2016 Pvy714 exercise3 EXO IRC.PNG (file) 11 KB   1
19:59, 14 December 2016 Pvy714 exercise3 ENDO IRC.PNG (file) 11 KB   1
19:57, 14 December 2016 Pvy714 exercise3 Cheletropic IRC.PNG (file) 10 KB   1
17:37, 14 December 2016 Pvy714 exercise 1 Updates mos.gif (file) 22 KB   1
17:26, 14 December 2016 Pvy714 exercise1 1st mo.gif (file) 15 KB   1
15:19, 13 December 2016 Pvy714 exercise3 Graph.pdf (file) 2 KB   1
14:02, 13 December 2016 Pvy714 exercise 2 ENDO TS MOS B3LYP.LOG (file) 2.34 MB   1
22:11, 12 December 2016 Pvy714 exercise2 TS MOS B3LYP.LOG (file) 2.34 MB   1
21:36, 12 December 2016 Pvy714 exercise3 IRC of Cheletropic.gif (file) 914 KB   1
21:35, 12 December 2016 Pvy714 exercise3 IRC Endo film.gif (file) 625 KB   1
21:33, 12 December 2016 Pvy714 exercise3 EXO DA IRC film.gif (file) 625 KB   1
21:26, 12 December 2016 Pvy714 Exercise 3 reaction scheme.jpg (file) 28 KB   1
21:12, 12 December 2016 Pvy714 Exercise 2 Secondary orbitals.jpg (file) 44 KB   1
20:35, 12 December 2016 Pvy714 exercise2 ENDO TS MOS.LOG (file) 137 KB   1
20:33, 12 December 2016 Pvy714 exercise2 Endo TS LUMO+1 antisymmetric.jpg (file) 79 KB   1
20:33, 12 December 2016 Pvy714 exercise2 Endo TS LUMO symmetric.jpg (file) 79 KB   1
20:32, 12 December 2016 Pvy714 exercise2 Endo TS HOMO symmetric.jpg (file) 69 KB   1
20:32, 12 December 2016 Pvy714 exercise2 Endo TS HOMO-1 antisymmetric.jpg (file) 75 KB   1
20:24, 12 December 2016 Pvy714 exercise2 Cyclohexadiene lumo symmetric.jpg (file) 62 KB   1
20:23, 12 December 2016 Pvy714 exercise2 Cyclohexadiene homo antisymmetric.jpg (file) 64 KB   1
20:22, 12 December 2016 Pvy714 exercise2 Dioxole lumo antisymmetric.jpg (file) 62 KB   1
20:22, 12 December 2016 Pvy714 exercise2 Dioxole homo symmetric.jpg (file) 60 KB   1
20:20, 12 December 2016 Pvy714 exercise2 EXO TS LUMO+1 symmetric.jpg (file) 86 KB   1
20:19, 12 December 2016 Pvy714 exercise2 EXO TS LUMO antisymmetric.jpg (file) 82 KB   1
20:18, 12 December 2016 Pvy714 exercise2 EXO TS HOMO symmetric.jpg (file) 75 KB   1
20:16, 12 December 2016 Pvy714 exercise2 EXO TS HOMO-1 anti-symmetric.jpg (file) 81 KB   1
20:07, 12 December 2016 Pvy714 exercise2 DIOXOLE MOS.LOG (file) 39 KB   1
20:02, 12 December 2016 Pvy714 exercise 2 CYCLOHEXADIENE MOS.LOG (file) 59 KB   1
19:58, 12 December 2016 Pvy714 exercise 2 TS MOS.LOG (file) 137 KB   1
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