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Uploads by Kyh12

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Date Name Thumbnail Size Description Versions
17:03, 4 March 2015 Kyh12 NH3 vibration2.gif (file) 651 KB   1
17:03, 4 March 2015 Kyh12 NH3 vibration1.gif (file) 572 KB   1
17:03, 4 March 2015 Kyh12 NH3 IRspectrum.PNG (file) 13 KB   1
16:43, 4 March 2015 KYH12 NH3 FREQUENCY 6-31G.LOG (file) 26 KB   1
16:41, 4 March 2015 KYH12 NH3 OPTIMISATION 6-31G.LOG (file) 48 KB   1
16:32, 4 March 2015 Kyh12 NH3 frequency summarytable.PNG (file) 15 KB   1
16:27, 4 March 2015 KYH12 NH3 OPTIMISATION 6-31G.mol (file) 453 bytes   1
16:26, 4 March 2015 Kyh12 NH3 optimisedsummarytable.PNG (file) 15 KB   1
15:45, 4 March 2015 Kyh12 MOBH3final.PNG (file) 101 KB   1
13:31, 4 March 2015 Kyh12 reducedmass.PNG (file) 1 KB   1
13:30, 4 March 2015 Kyh12 vibrationalfrequencyequation.PNG (file) 1 KB   1
10:34, 4 March 2015 Kyh12 GABr3 frequencyanalysis.log (file) 28 KB   1
10:07, 4 March 2015 Kyh12 GaBr3 vibrationIRspectrum.PNG (file) 14 KB   1
10:06, 4 March 2015 Kyh12 GABr3 vibration6.gif (file) 346 KB   1
10:06, 4 March 2015 Kyh12 GABr3 vibration5.gif (file) 325 KB   1
10:04, 4 March 2015 Kyh12 GABr3 vibration4.gif (file) 350 KB   1
10:03, 4 March 2015 Kyh12 GABr3 vibration3.gif (file) 341 KB   2
10:02, 4 March 2015 Kyh12 GABr3 vibration2.gif (file) 349 KB   1
10:02, 4 March 2015 Kyh12 GABr3 vibration1.gif (file) 347 KB   1
09:58, 4 March 2015 Kyh12 GAbr3 frequencyanalysis summarytable.PNG (file) 15 KB   1
21:52, 3 March 2015 Kyh12 bh3 vibrationIRspectrum.PNG (file) 17 KB   1
21:48, 3 March 2015 Kyh12 bh3 vibration6.gif (file) 476 KB   1
21:48, 3 March 2015 Kyh12 bh3 vibration5new.gif (file) 456 KB   2
21:47, 3 March 2015 Kyh12 bh3 vibration5.gif (file) 456 KB   2
21:46, 3 March 2015 Kyh12 bh3 vibration4 new.gif (file) 497 KB   1
21:45, 3 March 2015 Kyh12 bh3 vibration4.gif (file) 497 KB   1
21:45, 3 March 2015 Kyh12 bh3 vibration3.gif (file) 503 KB   1
21:44, 3 March 2015 Kyh12 bh3 vibration2.gif (file) 513 KB   1
21:36, 3 March 2015 Kyh12 bh3 vibration1.gif (file) 471 KB   4
21:12, 3 March 2015 KYH12 BH3 D3H FREQUENCY vibration1.gjf (file) 465 bytes   1
21:10, 3 March 2015 KYH12 BH3 D3h frequency vibration1.mol (file) 438 bytes   1
17:07, 3 March 2015 Kyh12 bbr3 optimisation.log (file) 49 KB   1
16:31, 3 March 2015 Kyh12 bbr3 optimisation.mol (file) 442 bytes   1
16:30, 3 March 2015 Kyh12 Bbr3 summarytable.PNG (file) 14 KB   1
16:17, 3 March 2015 KYH12 BH3 D3H FREQUENCY 6-31G.LOG (file) 26 KB   1
15:12, 3 March 2015 Kyh12 Bh3 D3h summarytable.PNG (file) 15 KB   1
10:30, 3 March 2015 Kyh12 GABr3 pp optimisation.log (file) 41 KB   1
09:59, 3 March 2015 Kyh12 GABr3 pp optimisation1.mol (file) 466 bytes   1
09:57, 3 March 2015 Kyh12 GABr3 pp optimisation summarytable.PNG (file) 14 KB   1
21:46, 2 March 2015 KYH12 BH3 OPTIMISATION3 6-31G.LOG (file) 71 KB   1
21:43, 2 March 2015 KYH12 BH3 OPTIMISATION3 6-31G.mol (file) 443 bytes   1
21:40, 2 March 2015 Kyh12 bh3 summarytable2 6-31G.PNG (file) 14 KB   1
18:39, 2 March 2015 KYH12 BH3 OPTIMISATION2 6-31G.mol (file) 374 bytes   1
18:34, 2 March 2015 Kyh12 bh3 summarytable 6-31G.PNG (file) 11 KB   1
16:48, 2 March 2015 Kyh12 potentialenergy optimisedbh3.PNG (file) 6 KB   1
15:29, 2 March 2015 Kyh12 rmsgradient optimisedbh3.PNG (file) 13 KB   1
15:23, 2 March 2015 Kyh12 graphtotalenergy optimisedbh3.PNG (file) 11 KB   1
14:39, 2 March 2015 KYH12 BH3 AFTER OPTIMISATION.LOG (file) 69 KB   1
13:46, 2 March 2015 Kyh12 bh3afteroptimisation.mol (file) 441 bytes   1
13:34, 2 March 2015 Kyh12 summarytableof optimisedbh3.PNG (file) 13 KB   1
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