User contributions for Mc1210
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8 February 2013
- 04:0904:09, 8 February 2013 diff hist +7 Rep:Mod:angela910118 →First Intrinsic Reaction Coordinate calculation
- 04:0904:09, 8 February 2013 diff hist +64 Rep:Mod:angela910118 →Optimisation after Intrinsic Reaction Coordinate calculation
- 04:0804:08, 8 February 2013 diff hist +95 Rep:Mod:angela910118 →Optimisation after Intrinsic Reaction Coordinate calculation
- 04:0504:05, 8 February 2013 diff hist +68 Rep:Mod:angela910118 →Optimisation after Intrinsic Reaction Coordinate calculation
- 04:0404:04, 8 February 2013 diff hist 0 N File:IRC OPT.LOG No edit summary current
- 04:0404:04, 8 February 2013 diff hist +512 Rep:Mod:angela910118 →Intrinsic Reaction Coordinate calculation of chair transition state
- 04:0104:01, 8 February 2013 diff hist +189 Rep:Mod:angela910118 →Optimisation after Intrinsic Reaction Coordinate calculation
- 03:5603:56, 8 February 2013 diff hist +10 Rep:Mod:angela910118 →Intrinsic Reaction Coordinate calculation of chair transition state
- 03:5603:56, 8 February 2013 diff hist +12 Rep:Mod:angela910118 →Intrinsic Reaction Coordinate calculation of chair transition state
- 03:5603:56, 8 February 2013 diff hist +72 Rep:Mod:angela910118 →Intrinsic Reaction Coordinate calculation of chair transition state
- 03:5503:55, 8 February 2013 diff hist 0 N File:Irc opt datasummary.PNG No edit summary current
- 03:5503:55, 8 February 2013 diff hist −22 Rep:Mod:angela910118 →First Intrinsic Reaction Coordinate calculation
- 03:5503:55, 8 February 2013 diff hist +63 Rep:Mod:angela910118 →Optimisation after Intrinsic Reaction Coordinate calculation
- 03:5403:54, 8 February 2013 diff hist +143 Rep:Mod:angela910118 →Optimisation after Intrinsic Reaction Coordinate calculation
- 03:4403:44, 8 February 2013 diff hist 0 Rep:Mod:angela910118 →Intrinsic Reaction Coordinate calculation of chair transition state
- 03:4303:43, 8 February 2013 diff hist 0 Rep:Mod:angela910118 →Intrinsic Reaction Coordinate calculation of chair transition state
- 03:4203:42, 8 February 2013 diff hist 0 Rep:Mod:angela910118 →Intrinsic Reaction Coordinate calculation of chair transition state
- 03:4203:42, 8 February 2013 diff hist −22 Rep:Mod:angela910118 →Intrinsic Reaction Coordinate calculation of chair transition state
- 03:4103:41, 8 February 2013 diff hist −41 Rep:Mod:angela910118 →Intrinsic Reaction Coordinate calculation of chair transition state
- 03:4103:41, 8 February 2013 diff hist 0 N File:STRUCTURE(44).PNG No edit summary current
- 03:4103:41, 8 February 2013 diff hist 0 N File:STRUCTURE(33).PNG No edit summary current
- 03:4003:40, 8 February 2013 diff hist 0 File:STRUCTURE(28).PNG uploaded a new version of "File:STRUCTURE(28).PNG" current
- 03:4003:40, 8 February 2013 diff hist 0 N File:STRUCTURE(28).PNG No edit summary
- 03:4003:40, 8 February 2013 diff hist 0 N File:STRUCTURE(13).PNG No edit summary current
- 03:3903:39, 8 February 2013 diff hist 0 N File:STRUCTURE(1).PNG No edit summary current
- 03:3803:38, 8 February 2013 diff hist −5 Rep:Mod:angela910118 →Intrinsic Reaction Coordinate calculation of chair transition state
- 03:3803:38, 8 February 2013 diff hist −6 Rep:Mod:angela910118 →Intrinsic Reaction Coordinate calculation of chair transition state
- 03:3703:37, 8 February 2013 diff hist −5 Rep:Mod:angela910118 →Intrinsic Reaction Coordinate calculation of chair transition state
- 03:3703:37, 8 February 2013 diff hist +8 Rep:Mod:angela910118 →Intrinsic Reaction Coordinate calculation of chair transition state
- 03:3703:37, 8 February 2013 diff hist +7 Rep:Mod:angela910118 →Intrinsic Reaction Coordinate calculation of chair transition state
- 03:3703:37, 8 February 2013 diff hist +8 Rep:Mod:angela910118 →Intrinsic Reaction Coordinate calculation of chair transition state
- 03:3703:37, 8 February 2013 diff hist −21 Rep:Mod:angela910118 →First Intrinsic Reaction Coordinate calculation
- 03:3603:36, 8 February 2013 diff hist −3 Rep:Mod:angela910118 →Intrinsic Reaction Coordinate calculation of chair transition state
- 03:3603:36, 8 February 2013 diff hist +6 Rep:Mod:angela910118 →Intrinsic Reaction Coordinate calculation of chair transition state
- 03:3603:36, 8 February 2013 diff hist +8 Rep:Mod:angela910118 →Intrinsic Reaction Coordinate calculation of chair transition state
- 03:3503:35, 8 February 2013 diff hist +2 Rep:Mod:angela910118 →Intrinsic Reaction Coordinate calculation of chair transition state
- 03:3503:35, 8 February 2013 diff hist −6 Rep:Mod:angela910118 →First Intrinsic Reaction Coordinate calculation
- 03:3503:35, 8 February 2013 diff hist −25 Rep:Mod:angela910118 →First Intrinsic Reaction Coordinate calculation
- 03:3403:34, 8 February 2013 diff hist −10 Rep:Mod:angela910118 →Intrinsic Reaction Coordinate calculation of chair transition state
- 03:3303:33, 8 February 2013 diff hist +29 Rep:Mod:angela910118 →Intrinsic Reaction Coordinate calculation of chair transition state
- 03:3303:33, 8 February 2013 diff hist 0 Rep:Mod:angela910118 →First Intrinsic Reaction Coordinate calculation
- 03:3203:32, 8 February 2013 diff hist +344 Rep:Mod:angela910118 →First Intrinsic Reaction Coordinate calculation
- 03:2903:29, 8 February 2013 diff hist +12 Rep:Mod:angela910118 →Second Intrinsic Reaction Coordinate calculation
- 03:2803:28, 8 February 2013 diff hist +23 Rep:Mod:angela910118 →Intrinsic Reaction Coordinate calculation of chair transition state
- 03:2803:28, 8 February 2013 diff hist 0 Rep:Mod:angela910118 →First Intrinsic Reaction Coordinate calculation
- 03:2703:27, 8 February 2013 diff hist 0 Rep:Mod:angela910118 →First Intrinsic Reaction Coordinate calculation
- 03:2603:26, 8 February 2013 diff hist +49 Rep:Mod:angela910118 →First Intrinsic Reaction Coordinate calculation
- 03:2603:26, 8 February 2013 diff hist 0 N File:RMSGRADIENT ALONG IRC.PNG No edit summary current
- 03:2303:23, 8 February 2013 diff hist 0 Rep:Mod:angela910118 →First Intrinsic Reaction Coordinate calculation
- 03:2303:23, 8 February 2013 diff hist 0 Rep:Mod:angela910118 →First Intrinsic Reaction Coordinate calculation