User contributions for Mc1210
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8 February 2013
- 03:2203:22, 8 February 2013 diff hist −1,073 Rep:Mod:angela910118 →First Intrinsic Reaction Coordinate calculation
- 03:1603:16, 8 February 2013 diff hist +3 Rep:Mod:angela910118 →First Intrinsic Reaction Coordinate calculation
- 03:1603:16, 8 February 2013 diff hist +2 Rep:Mod:angela910118 →First Intrinsic Reaction Coordinate calculation
- 03:1603:16, 8 February 2013 diff hist 0 Rep:Mod:angela910118 →First Intrinsic Reaction Coordinate calculation
- 03:1403:14, 8 February 2013 diff hist +3 Rep:Mod:angela910118 →First Intrinsic Reaction Coordinate calculation
- 03:1403:14, 8 February 2013 diff hist +3 Rep:Mod:angela910118 →First Intrinsic Reaction Coordinate calculation
- 03:1403:14, 8 February 2013 diff hist −26 Rep:Mod:angela910118 →First Intrinsic Reaction Coordinate calculation
- 03:1403:14, 8 February 2013 diff hist 0 N File:IRCDATA.PNG No edit summary current
- 03:1003:10, 8 February 2013 diff hist −142 Rep:Mod:angela910118 →First Intrinsic Reaction Coordinate calculation
- 03:0903:09, 8 February 2013 diff hist +6 Rep:Mod:angela910118 →First Intrinsic Reaction Coordinate calculation
- 03:0903:09, 8 February 2013 diff hist +15 Rep:Mod:angela910118 →First Intrinsic Reaction Coordinate calculation
- 03:0903:09, 8 February 2013 diff hist +1,043 Rep:Mod:angela910118 →First Intrinsic Reaction Coordinate calculation
- 03:0803:08, 8 February 2013 diff hist +34 Rep:Mod:angela910118 →First Intrinsic Reaction Coordinate calculation
- 03:0803:08, 8 February 2013 diff hist +217 Rep:Mod:angela910118 →First Intrinsic Reaction Coordinate calculation
- 03:0603:06, 8 February 2013 diff hist −22 Rep:Mod:angela910118 →First Intrinsic Reaction Coordinate calculation
- 03:0503:05, 8 February 2013 diff hist 0 File:CHAIRTRANSITIONSTATE.gif uploaded a new version of "File:CHAIRTRANSITIONSTATE.gif" current
- 03:0403:04, 8 February 2013 diff hist −5 Rep:Mod:angela910118 No edit summary
- 03:0303:03, 8 February 2013 diff hist +28 Rep:Mod:angela910118 →The Diels Alder Cycloaddition
- 03:0303:03, 8 February 2013 diff hist −43 Rep:Mod:angela910118 →First Intrinsic Reaction Coordinate calculation
- 03:0303:03, 8 February 2013 diff hist 0 N File:CHAIRTRANSITIONSTATE.gif No edit summary
- 03:0103:01, 8 February 2013 diff hist +31 Rep:Mod:angela910118 No edit summary
- 03:0003:00, 8 February 2013 diff hist +159 Rep:Mod:angela910118 →First Intrinsic Reaction Coordinate calculation
- 02:5902:59, 8 February 2013 diff hist +151 Rep:Mod:angela910118 →First Intrinsic Reaction Coordinate calculation
- 02:5602:56, 8 February 2013 diff hist +289 Rep:Mod:angela910118 →Intrinsic Reaction Coordinate calculation of chair transition state
- 02:3902:39, 8 February 2013 diff hist +115 Rep:Mod:angela910118 →Intrinsic Reaction Coordinate calculation of chair transition state
- 02:3802:38, 8 February 2013 diff hist +35 Rep:Mod:angela910118 →Optimizing boat transition state
- 02:3702:37, 8 February 2013 diff hist +40 Rep:Mod:angela910118 →Optimizing Chair and Boat Transition Structures
- 02:3602:36, 8 February 2013 diff hist +146 Rep:Mod:angela910118 →Optimization by hessian method
- 02:3402:34, 8 February 2013 diff hist +32 Rep:Mod:angela910118 →Successful Calculation
- 02:3302:33, 8 February 2013 diff hist +146 Rep:Mod:angela910118 →Successful Calculation
- 02:3002:30, 8 February 2013 diff hist 0 File:Correct imaginaryfre.gif uploaded a new version of "File:Correct imaginaryfre.gif" current
- 02:2902:29, 8 February 2013 diff hist +3 Rep:Mod:angela910118 →Successful Calculation
- 02:2802:28, 8 February 2013 diff hist 0 N File:Correct imaginaryfre.gif No edit summary
- 02:2702:27, 8 February 2013 diff hist −16 Rep:Mod:angela910118 →Optimization by frozen coordinate method
- 02:2602:26, 8 February 2013 diff hist −17 Rep:Mod:angela910118 →Optimization by hessian method
- 02:2602:26, 8 February 2013 diff hist −17 Rep:Mod:angela910118 →Optimizing allyl fragment
- 02:2502:25, 8 February 2013 diff hist 0 Rep:Mod:angela910118 →Successful Calculation
- 02:2402:24, 8 February 2013 diff hist 0 Rep:Mod:angela910118 →Successful Calculation
- 02:2302:23, 8 February 2013 diff hist 0 Rep:Mod:angela910118 →Successful Calculation
- 02:2102:21, 8 February 2013 diff hist +254 Rep:Mod:angela910118 →Successful Calculation
- 02:2102:21, 8 February 2013 diff hist +16 Rep:Mod:angela910118 →Failed Calculation
- 02:1302:13, 8 February 2013 diff hist +13 Rep:Mod:angela910118 →Successful Calculation
- 02:1302:13, 8 February 2013 diff hist 0 N File:Correct optimisationdata.JPG No edit summary current
- 02:1302:13, 8 February 2013 diff hist 0 N File:Correct optimisation.JPG No edit summary current
- 02:1202:12, 8 February 2013 diff hist 0 N File:Boat optimisation correct product.PNG No edit summary current
- 02:1202:12, 8 February 2013 diff hist 0 N File:Boat optimisation correct reactant.PNG No edit summary current
- 02:1102:11, 8 February 2013 diff hist +1,313 Rep:Mod:angela910118 →Successful Calculation
- 02:0902:09, 8 February 2013 diff hist +1 Rep:Mod:angela910118 →Failed Calculation
- 02:0802:08, 8 February 2013 diff hist −16 Rep:Mod:angela910118 →Failed Calculation
- 02:0502:05, 8 February 2013 diff hist +3 Rep:Mod:angela910118 →Failed Calculation