User contributions for Mc1210
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8 February 2013
- 13:0013:00, 8 February 2013 diff hist −287 Rep:Mod:angela910118 →First Intrinsic Reaction Coordinate calculation
- 12:5812:58, 8 February 2013 diff hist +149 Rep:Mod:angela910118 →First Intrinsic Reaction Coordinate calculation
- 12:5212:52, 8 February 2013 diff hist −16 Rep:Mod:angela910118 →Successful Calculation
- 12:5112:51, 8 February 2013 diff hist +183 Rep:Mod:angela910118 →Successful Calculation
- 12:4712:47, 8 February 2013 diff hist +146 Rep:Mod:angela910118 →Failed Calculation
- 12:4312:43, 8 February 2013 diff hist −110 Rep:Mod:angela910118 →Comparison of two optimization method
- 12:3912:39, 8 February 2013 diff hist +166 Rep:Mod:angela910118 →Comparison of two optimization method
- 12:3412:34, 8 February 2013 diff hist +221 Rep:Mod:angela910118 →Comparison of two optimization method
- 12:2412:24, 8 February 2013 diff hist −16 Rep:Mod:angela910118 →Optimization by hessian method
- 12:2012:20, 8 February 2013 diff hist +24 Rep:Mod:angela910118 →Frequncy anaylsis anti (2) 1,5-hexadiene
- 12:1912:19, 8 February 2013 diff hist +66 Rep:Mod:angela910118 →Frequncy anaylsis anti (2) 1,5-hexadiene
- 12:1612:16, 8 February 2013 diff hist +26 Rep:Mod:angela910118 →Frequncy anaylsis anti (2) 1,5-hexadiene
- 12:1012:10, 8 February 2013 diff hist +746 Rep:Mod:angela910118 →Further Optimizing anti (2) 1,5-hexadiene
- 11:4911:49, 8 February 2013 diff hist +232 Rep:Mod:angela910118 →Comparison bewtween anti and gauche 1,5-hexadiene
- 11:4511:45, 8 February 2013 diff hist +3 Rep:Mod:angela910118 →Comparison bewtween anti and gauche 1,5-hexadiene
- 11:4511:45, 8 February 2013 diff hist +121 Rep:Mod:angela910118 →Comparison bewtween anti and gauche 1,5-hexadiene
- 11:4411:44, 8 February 2013 diff hist 0 N File:Antigauche.png No edit summary current
- 11:2711:27, 8 February 2013 diff hist +407 Rep:Mod:angela910118 →Comparison bewtween anti and gauche 1,5-hexadiene
- 07:3407:34, 8 February 2013 diff hist +32 Rep:Mod:angela910118 →Endo transition state
- 07:3307:33, 8 February 2013 diff hist +31 Rep:Mod:angela910118 →Exo transition state
- 07:3207:32, 8 February 2013 diff hist +32 Rep:Mod:angela910118 →Optimisation the transition state
- 07:2907:29, 8 February 2013 diff hist +160 Rep:Mod:angela910118 →Cope Rearrangement
- 07:1707:17, 8 February 2013 diff hist −6 Rep:Mod:angela910118 →Endo transition state
- 07:1707:17, 8 February 2013 diff hist 0 N File:Endotransistio.gif No edit summary current
- 07:1607:16, 8 February 2013 diff hist −6 Rep:Mod:angela910118 →Exo transition state
- 07:1507:15, 8 February 2013 diff hist 0 N File:Exo trasitio.gif No edit summary current
- 07:1407:14, 8 February 2013 diff hist −96 Rep:Mod:angela910118 →Frequncy anaylsis anti (2) 1,5-hexadiene
- 07:1207:12, 8 February 2013 diff hist +63 Rep:Mod:angela910118 →Frequncy anaylsis anti (2) 1,5-hexadiene
- 07:1007:10, 8 February 2013 diff hist +11 Rep:Mod:angela910118 →Frequncy anaylsis anti (2) 1,5-hexadiene
- 07:0907:09, 8 February 2013 diff hist +22 Rep:Mod:angela910118 →Frequncy anaylsis anti (2) 1,5-hexadiene
- 07:0907:09, 8 February 2013 diff hist −9 Rep:Mod:angela910118 →Frequncy anaylsis anti (2) 1,5-hexadiene
- 07:0407:04, 8 February 2013 diff hist +6 Rep:Mod:angela910118 →Endo transition state
- 07:0307:03, 8 February 2013 diff hist 0 N File:Endotransistionstate.gif No edit summary current
- 07:0307:03, 8 February 2013 diff hist 0 N File:EndoIRC RMSGRADIENT.PNG No edit summary current
- 07:0207:02, 8 February 2013 diff hist 0 N File:EndoIRC TOTALENERGY.PNG No edit summary current
- 07:0207:02, 8 February 2013 diff hist 0 N File:ENDO-IRC.LOG No edit summary
- 07:0107:01, 8 February 2013 diff hist 0 N File:Endo imaginaryfre.gif No edit summary current
- 07:0107:01, 8 February 2013 diff hist 0 N File:Endo lowestfre.gif No edit summary current
- 07:0007:00, 8 February 2013 diff hist 0 N File:EndoIR.PNG No edit summary current
- 07:0007:00, 8 February 2013 diff hist 0 File:Endo lumo.PNG uploaded a new version of "File:Endo lumo.PNG" current
- 07:0007:00, 8 February 2013 diff hist 0 File:Endo homo.PNG uploaded a new version of "File:Endo homo.PNG"
- 06:5906:59, 8 February 2013 diff hist 0 N File:Endodatasummary.PNG No edit summary current
- 06:5906:59, 8 February 2013 diff hist 0 N File:Endo opt.PNG No edit summary current
- 06:5806:58, 8 February 2013 diff hist 0 N File:ENDO OPT FRE.LOG No edit summary current
- 06:5506:55, 8 February 2013 diff hist +82 Rep:Mod:angela910118 →Exo transition state
- 06:5406:54, 8 February 2013 diff hist 0 N File:ExoIRC TOTALENERGY.PNG No edit summary current
- 06:5406:54, 8 February 2013 diff hist 0 N File:ExoIRC RMSGRADIENT.PNG No edit summary current
- 06:5406:54, 8 February 2013 diff hist 0 N File:Exo trasitionstate.gif No edit summary current
- 06:5306:53, 8 February 2013 diff hist 0 N File:EXO lowestfre.gif No edit summary current
- 06:5206:52, 8 February 2013 diff hist 0 N File:EXO imaginaryfre.gif No edit summary current