User contributions for Lkb110
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7 February 2013
- 15:0815:08, 7 February 2013 diff hist +1 Rep:Mod:lkb110mod3 →Intrinsic Reaction Coordinate of Endo-Transition state
- 15:0815:08, 7 February 2013 diff hist 0 N File:Endo ts movie.gif No edit summary
- 15:0715:07, 7 February 2013 diff hist +2,520 Rep:Mod:lkb110mod3 →Intrinsic Reaction Coordinate of Endo-Transition state
- 15:0315:03, 7 February 2013 diff hist 0 N File:TS1 IRC SE AM1.LOG No edit summary current
- 15:0215:02, 7 February 2013 diff hist +2 Rep:Mod:lkb110mod3 →Optimisation of Endo-Transition state
- 15:0115:01, 7 February 2013 diff hist 0 N File:Input guess ts.png No edit summary current
- 14:5714:57, 7 February 2013 diff hist 0 Rep:Mod:lkb110mod3 →Optimisation of Endo-Transition state
- 14:5614:56, 7 February 2013 diff hist 0 Rep:Mod:lkb110mod3 →Optimisation of Endo-Transition state
- 14:5414:54, 7 February 2013 diff hist −4 Rep:Mod:lkb110mod3 →Optimisation of Endo-Transition state
- 14:5314:53, 7 February 2013 diff hist 0 N File:TS1 OPT BERNY SE AM1.LOG No edit summary current
- 14:5214:52, 7 February 2013 diff hist +1,758 Rep:Mod:lkb110mod3 →Optimisation of Endo-Transition state
- 14:5214:52, 7 February 2013 diff hist 0 N File:Endo ts imaginary vib.gif No edit summary current
- 14:4914:49, 7 February 2013 diff hist +4 Rep:Mod:lkb110mod3 →Optimisation of Exo-Transition state
- 14:4514:45, 7 February 2013 diff hist +2 Rep:Mod:lkb110mod3 →Intrinsic Reaction Coordinate of Exo-Transition state
- 14:4414:44, 7 February 2013 diff hist +2 Rep:Mod:lkb110mod3 →Intrinsic Reaction Coordinate of Exo-Transition state
- 14:4314:43, 7 February 2013 diff hist −19 Rep:Mod:lkb110mod3 →Intrinsic Reaction Coordinate of Exo-Transition state
- 14:4214:42, 7 February 2013 diff hist 0 File:TS2 IRC SE AM1.LOG uploaded a new version of "File:TS2 IRC SE AM1.LOG" current
- 14:4114:41, 7 February 2013 diff hist +2 Rep:Mod:lkb110mod3 →Intrinsic Reaction Coordinate of Exo-Transition state
- 14:4014:40, 7 February 2013 diff hist 0 N File:TS2 IRC MINIMISE.LOG No edit summary current
- 14:3814:38, 7 February 2013 diff hist +3 Rep:Mod:lkb110mod3 →Intrinsic Reaction Coordinate of Exo-Transition state
- 14:3814:38, 7 February 2013 diff hist 0 N File:EXO ts minimised pic.png No edit summary current
- 14:3314:33, 7 February 2013 diff hist 0 Rep:Mod:lkb110mod3 →Intrinsic Reaction Coordinate of Exo-Transition state
- 14:3314:33, 7 February 2013 diff hist 0 N File:Exo ts Irc graph.svg No edit summary current
- 14:3214:32, 7 February 2013 diff hist −4 Rep:Mod:lkb110mod3 →Intrinsic Reaction Coordinate of Exo-Transition state
- 14:3114:31, 7 February 2013 diff hist 0 N File:Exo movie ts.gif No edit summary current
- 14:2414:24, 7 February 2013 diff hist +2,521 Rep:Mod:lkb110mod3 →Intrinsic Reaction Coordinate of Exo-Transition state
- 14:2114:21, 7 February 2013 diff hist 0 N File:TS2 IRC SE AM1.LOG No edit summary
- 14:1914:19, 7 February 2013 diff hist −2 Rep:Mod:lkb110mod3 →Optimisation of Exo-Transition state
- 14:1814:18, 7 February 2013 diff hist 0 N File:TS guess pic.png No edit summary current
- 14:1314:13, 7 February 2013 diff hist −16 Rep:Mod:lkb110mod3 →Optimisation of Exo-Transition state
- 14:1314:13, 7 February 2013 diff hist 0 N File:Exo TS imag vib.gif No edit summary current
- 14:0914:09, 7 February 2013 diff hist +1 Rep:Mod:lkb110mod3 →Optimisation of Exo-Transition state
- 14:0814:08, 7 February 2013 diff hist 0 Rep:Mod:lkb110mod3 →Optimisation of Exo-Transition state
- 14:0714:07, 7 February 2013 diff hist +12 Rep:Mod:lkb110mod3 →Optimisation of Exo-Transition state
- 14:0614:06, 7 February 2013 diff hist +16 Rep:Mod:lkb110mod3 →Optimisation of Exo-Transition state
- 14:0014:00, 7 February 2013 diff hist −196 Rep:Mod:lkb110mod3 →Optimisation of Exo-Transition state
- 13:5913:59, 7 February 2013 diff hist 0 N File:TS2 OPT BERNEY SE AM1.LOG No edit summary current
- 13:5513:55, 7 February 2013 diff hist +1,938 Rep:Mod:lkb110mod3 →Optimisation of Exo-Transition state
- 13:4613:46, 7 February 2013 diff hist −1 Rep:Mod:lkb110mod3 →Optimisation of Cis-butadiene/ethylene transition state
- 13:4513:45, 7 February 2013 diff hist +2 Rep:Mod:lkb110mod3 →Optimisation of Cyclohexa-1,3-diene using "Semi-Empirical/AM1" method
- 13:4413:44, 7 February 2013 diff hist +396 Rep:Mod:lkb110mod3 →Optimisation of maleic anhydride using "Semi-Empirical/AM1" method
- 13:4313:43, 7 February 2013 diff hist +856 Rep:Mod:lkb110mod3 →Optimisation of maleic anhydride using "Semi-Empirical/AM1" method
- 13:4313:43, 7 February 2013 diff hist 0 N File:Malaec opt pic.png No edit summary current
- 13:4213:42, 7 February 2013 diff hist 0 N File:MALEIC ANHYDRIDE SE AM1.LOG No edit summary current
6 February 2013
- 17:1117:11, 6 February 2013 diff hist +34 Rep:Mod:lkb110mod3 →Optimisation of maleic anhydride
- 17:1017:10, 6 February 2013 diff hist +85 Rep:Mod:lkb110mod3 →Optimisation of Cyclohexa-1,3-diene using "Semi-Empirical/AM1" method
- 17:0917:09, 6 February 2013 diff hist 0 N File:Cyclohexadiene opt pic.png No edit summary current
- 17:0717:07, 6 February 2013 diff hist 0 N File:Cyclohexadiene opt pic.tif No edit summary current
- 17:0717:07, 6 February 2013 diff hist +388 Rep:Mod:lkb110mod3 →Optimisation of Cyclohexa-1,3-diene using "Semi-Empirical/AM1" method
- 17:0617:06, 6 February 2013 diff hist +1 Rep:Mod:lkb110mod3 →Optimisation of Cyclohexa-1,3-diene using "Semi-Empirical/AM1" method