User contributions for Jyc08
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24 March 2011
- 13:5413:54, 24 March 2011 diff hist 0 N File:Anti2 freq 6 31Gd.out No edit summary current
- 13:4313:43, 24 March 2011 diff hist −15 Rep:Jyc08module3 →IRC (Intrinsic Reaction Coordinate) Method '''wrong'''
- 13:3413:34, 24 March 2011 diff hist −2,114 Rep:Jyc08module3 →IRC (Intrinsic Reaction Coordinate) Method '''right'''
- 13:3313:33, 24 March 2011 diff hist −575 Rep:Jyc08module3 →IRC (Intrinsic Reaction Coordinate) Method '''right'''
- 13:3213:32, 24 March 2011 diff hist +15 Rep:Jyc08module3 →Cope Rearrangement of 1,5-hexadiene
- 13:2913:29, 24 March 2011 diff hist +910 Rep:Jyc08module3 →IRC (Intrinsic Reaction Coordinate) Method '''wrong'''
- 11:1911:19, 24 March 2011 diff hist −566 Rep:Jyc08module3 →IRC (Intrinsic Reaction Coordinate) Method '''wrong'''
- 11:0011:00, 24 March 2011 diff hist +999 Rep:Jyc08module3 →IRC (Intrinsic Reaction Coordinate) Method '''wrong'''
- 10:5310:53, 24 March 2011 diff hist 0 N File:IRC inital summary.jpg No edit summary current
- 10:5210:52, 24 March 2011 diff hist +81 Rep:Jyc08module3 →IRC (Intrinsic Reaction Coordinate) Method '''wrong'''
- 10:5110:51, 24 March 2011 diff hist 0 N File:Chair IRC mod redundant.jpg No edit summary current
- 10:5010:50, 24 March 2011 diff hist +22 Rep:Jyc08module3 →IRC (Intrinsic Reaction Coordinate) Method '''wrong'''
- 10:4510:45, 24 March 2011 diff hist +19 Rep:Jyc08module3 →IRC (Intrinsic Reaction Coordinate) Method '''right'''
- 01:1501:15, 24 March 2011 diff hist −3 Rep:Jyc08module3 →Endo TS
- 01:1201:12, 24 March 2011 diff hist −6 Rep:Jyc08module3 →Endo TS
- 01:1101:11, 24 March 2011 diff hist 0 N File:Endo ts reopt and freq 6 31Gd.out No edit summary current
- 01:0801:08, 24 March 2011 diff hist +274 Rep:Jyc08module3 →Endo TS
- 01:0501:05, 24 March 2011 diff hist +86 Rep:Jyc08module3 →Endo TS
- 01:0301:03, 24 March 2011 diff hist 0 N File:Endo opt and freq TS after pdt opt vibrational frequencies.jpg No edit summary current
- 01:0201:02, 24 March 2011 diff hist +461 Rep:Jyc08module3 →Endo TS
- 00:5700:57, 24 March 2011 diff hist 0 N File:Endo ts opt freq 6 31Gd after pdt opt summary.jpg No edit summary current
- 00:5600:56, 24 March 2011 diff hist +286 Rep:Jyc08module3 →Endo TS
- 00:4700:47, 24 March 2011 diff hist −5 Rep:Jyc08module3 →''Anti 2'' Ci Conformation
- 00:4600:46, 24 March 2011 diff hist +443 Rep:Jyc08module3 →''Anti 2'' Ci Conformation
- 00:4100:41, 24 March 2011 diff hist +3 Rep:Jyc08module3 →Cope Rearrangement of 1,5-hexadiene
- 00:4000:40, 24 March 2011 diff hist +804 Rep:Jyc08module3 →''Anti 2'' Ci Conformation
- 00:2500:25, 24 March 2011 diff hist 0 N File:Anti2 geometry labelled.gif No edit summary current
23 March 2011
- 23:5623:56, 23 March 2011 diff hist +24 Rep:Jyc08module3 →Cope Rearrangement of 1,5-hexadiene
- 23:5423:54, 23 March 2011 diff hist +755 Rep:Jyc08module3 →Frequency Analysis
- 23:4523:45, 23 March 2011 diff hist +44 Rep:Jyc08module3 →Frequency Analysis
- 23:4023:40, 23 March 2011 diff hist +581 Rep:Jyc08module3 →Frequency Analysis
- 23:3223:32, 23 March 2011 diff hist 0 N File:Anti2 opt and freq 6 31Gd thermochemistry.jpg No edit summary current
- 23:3123:31, 23 March 2011 diff hist 0 N File:Log 42323.out No edit summary current
- 23:3023:30, 23 March 2011 diff hist +289 Rep:Jyc08module3 →Frequency Analysis
- 23:2023:20, 23 March 2011 diff hist +99 Rep:Jyc08module3 →''Anti 2'' Ci Conformation
- 23:1523:15, 23 March 2011 diff hist +394 Rep:Jyc08module3 →''Anti 2'' Ci Conformation
- 23:1123:11, 23 March 2011 diff hist 0 N File:Anti2 opt and freq 6 31Gd.jpg No edit summary current
- 23:1023:10, 23 March 2011 diff hist +100 Rep:Jyc08module3 →''Anti 2'' Ci Conformation
- 21:3521:35, 23 March 2011 diff hist +5 Rep:Jyc08module3 →''Anti 2'' Ci Conformation
- 21:3321:33, 23 March 2011 diff hist +429 Rep:Jyc08module3 →''Anti 2'' Ci Conformation
- 21:2921:29, 23 March 2011 diff hist 0 N File:Anti2 opt 6 31Gd.jpg No edit summary current
- 21:2921:29, 23 March 2011 diff hist +449 Rep:Jyc08module3 →''Anti 2'' Ci Conformation
- 18:5118:51, 23 March 2011 diff hist +80 Rep:Jyc08module3 →Chair
- 18:5118:51, 23 March 2011 diff hist 0 N File:Anti2 freq.out No edit summary current
- 18:2718:27, 23 March 2011 diff hist +98 Rep:Jyc08module3 →Chair
- 17:4317:43, 23 March 2011 diff hist +69 Rep:Jyc08module3 →Boat
- 17:4317:43, 23 March 2011 diff hist 0 N File:Boat reopt and freq 6 31G thermochemistry.jpg No edit summary current
- 17:3917:39, 23 March 2011 diff hist +57 Rep:Jyc08module3 →Boat
- 17:3917:39, 23 March 2011 diff hist 0 N File:BOAT REOPT FREQ 6 31GD.LOG No edit summary current
- 17:3817:38, 23 March 2011 diff hist +279 Rep:Jyc08module3 →Boat