User contributions for Mc1210
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8 February 2013
- 02:0502:05, 8 February 2013 diff hist −2 Rep:Mod:angela910118 →Failed Calculation
- 02:0402:04, 8 February 2013 diff hist 0 N File:Failed optimisationdata.JPG No edit summary current
- 01:5901:59, 8 February 2013 diff hist −2 Rep:Mod:angela910118 →Failed Calculation
- 01:5901:59, 8 February 2013 diff hist 0 N File:Failed boat optimisation.PNG No edit summary
- 01:5801:58, 8 February 2013 diff hist +1 Rep:Mod:angela910118 →Failed Calculation
- 01:5801:58, 8 February 2013 diff hist +328 Rep:Mod:angela910118 →Failed Calculation
- 01:5701:57, 8 February 2013 diff hist +9 Rep:Mod:angela910118 →Failed Calculation
- 01:5601:56, 8 February 2013 diff hist +8 Rep:Mod:angela910118 →Failed Calculation
- 01:5601:56, 8 February 2013 diff hist +143 Rep:Mod:angela910118 →Failed Calculation
- 01:5501:55, 8 February 2013 diff hist −43 Rep:Mod:angela910118 →Optimizing allyl fragment
- 01:5501:55, 8 February 2013 diff hist 0 File:Data.JPG uploaded a new version of "File:Data.JPG" current
- 01:5401:54, 8 February 2013 diff hist 0 File:Ch2chch2structure.JPG uploaded a new version of "File:Ch2chch2structure.JPG" current
- 01:5401:54, 8 February 2013 diff hist 0 File:CHAIR 1 OPTIMIASATION.LOG uploaded a new version of "File:CHAIR 1 OPTIMIASATION.LOG" current
- 01:5301:53, 8 February 2013 diff hist 0 N File:Chair 1 optimiasation.gjf No edit summary current
- 01:5101:51, 8 February 2013 diff hist +840 Rep:Mod:angela910118 →Failed Calculation
- 01:5001:50, 8 February 2013 diff hist −70 Rep:Mod:angela910118 →Optimizing allyl fragment
- 01:4801:48, 8 February 2013 diff hist 0 N File:Boat optimisation product.PNG No edit summary current
- 01:4701:47, 8 February 2013 diff hist 0 N File:BOAT OPTIMISATION.LOG No edit summary current
- 01:4701:47, 8 February 2013 diff hist 0 N File:Boat optimisation reactant.PNG No edit summary current
- 01:3601:36, 8 February 2013 diff hist +1 Rep:Mod:angela910118 →= Successful Calculation
- 01:3601:36, 8 February 2013 diff hist +1 Rep:Mod:angela910118 →=Failed Calculation
- 01:3601:36, 8 February 2013 diff hist +240 Rep:Mod:angela910118 →Optimizing boat transition state
- 01:2601:26, 8 February 2013 diff hist +292 Rep:Mod:angela910118 →Optimizing boat transition state
- 01:2001:20, 8 February 2013 diff hist +40 Rep:Mod:angela910118 →Optimizing Chair and Boat Transition Structures
- 00:5100:51, 8 February 2013 diff hist +1 Rep:Mod:angela910118 →Optimization by frozen coordinate method
- 00:4900:49, 8 February 2013 diff hist +323 Rep:Mod:angela910118 →Optimization by frozen coordinate method
- 00:4600:46, 8 February 2013 diff hist −4 Rep:Mod:angela910118 →Optimization by frozen coordinate method
- 00:3900:39, 8 February 2013 diff hist −8 Rep:Mod:angela910118 →Optimization by frozen coordinate method
- 00:3900:39, 8 February 2013 diff hist 0 N File:Capture(1).JPG No edit summary current
- 00:3800:38, 8 February 2013 diff hist 0 N File:Freeze optimisation(1).JPG No edit summary current
- 00:2900:29, 8 February 2013 diff hist −1 Rep:Mod:angela910118 →Comparison of two optimization method
- 00:2800:28, 8 February 2013 diff hist +125 Rep:Mod:angela910118 →Optimizing chair transition state
- 00:1900:19, 8 February 2013 diff hist +2 Rep:Mod:angela910118 →Optimization by frozen coordinate method
- 00:1800:18, 8 February 2013 diff hist 0 N File:Freeze optimisation d.PNG No edit summary current
- 00:1300:13, 8 February 2013 diff hist −1 Rep:Mod:angela910118 →Optimization by frozen coordinate method
- 00:1200:12, 8 February 2013 diff hist +14 Rep:Mod:angela910118 →Optimizing chair transition state
- 00:1100:11, 8 February 2013 diff hist 0 N File:Freeze optimisation part d datasummary.JPG No edit summary current
- 00:1100:11, 8 February 2013 diff hist 0 N File:FREEZE OPTIMISATION PART D.LOG No edit summary current
- 00:1000:10, 8 February 2013 diff hist −113 Rep:Mod:angela910118 →Optimization by frozen coordinate method
7 February 2013
- 23:5723:57, 7 February 2013 diff hist −26 Rep:Mod:angela910118 →Optimization by frozen coordinate method
- 23:5723:57, 7 February 2013 diff hist +1,394 Rep:Mod:angela910118 →Optimization by frozen coordinate method
- 23:5523:55, 7 February 2013 diff hist +54 Rep:Mod:angela910118 →Optimization by frozen coordinate method
- 23:5323:53, 7 February 2013 diff hist −211 Rep:Mod:angela910118 →Optimization by frozen coordinate method
- 23:5323:53, 7 February 2013 diff hist −368 Rep:Mod:angela910118 →Optimization by frozen coordinate method
- 23:5223:52, 7 February 2013 diff hist 0 N File:Freeze optimisation datasummary.PNG No edit summary current
- 23:4723:47, 7 February 2013 diff hist +164 Rep:Mod:angela910118 →Optimization by hessian method
- 23:4723:47, 7 February 2013 diff hist 0 N File:Freeze optimisation.JPG No edit summary current
- 23:4723:47, 7 February 2013 diff hist 0 File:FREEZE OPTIMISATION.LOG uploaded a new version of "File:FREEZE OPTIMISATION.LOG" current
- 23:4723:47, 7 February 2013 diff hist 0 N File:FREEZE OPTIMISATION.LOG No edit summary
- 23:3423:34, 7 February 2013 diff hist +16 Rep:Mod:angela910118 →Optimization by hessian method