User contributions for Ka1510
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8 March 2013
- 15:4615:46, 8 March 2013 diff hist +3 Rep:Mod:ka1510 →Chair - B3LYP/6-31G(D) Optimization
- 15:4615:46, 8 March 2013 diff hist +138 Rep:Mod:ka1510 →Chair - B3LYP/6-31G(D) Optimization
- 15:4415:44, 8 March 2013 diff hist +365 Rep:Mod:ka1510 →Chair - B3LYP/6-31G(D) Optimization
- 15:4315:43, 8 March 2013 diff hist +65 Rep:Mod:ka1510 →Chair - B3LYP/6-31G(D) Optimization
- 15:4215:42, 8 March 2013 diff hist +77 Log. File1Activation No edit summary current
- 15:4115:41, 8 March 2013 diff hist +39 Rep:Mod:ka1510 →Chair - B3LYP/6-31G(D) Optimization
- 15:4115:41, 8 March 2013 diff hist 0 N File:Activationimage1.png No edit summary current
- 15:2715:27, 8 March 2013 diff hist +60,721 N Log. File1Activation Created page with " Entering Gaussian System, Link 0=g03 Initial command: /apps/gaussian/g09_c01/g09/l1.exe /home/scan-user-1/run/74041/Gau-8869.inp -scrdir=/home/scan-user-1/run/74041/ Entering..."
- 15:2715:27, 8 March 2013 diff hist −1 Rep:Mod:ka1510 →Chair - B3LYP/6-31G(D) Optimization
- 15:2615:26, 8 March 2013 diff hist +67 Rep:Mod:ka1510 →Chair - B3LYP/6-31G(D) Optimization
- 15:2515:25, 8 March 2013 diff hist +3 Rep:Mod:ka1510 →"Gauche" 1,5-hexadiene molecule
- 15:2315:23, 8 March 2013 diff hist +72 Rep:Mod:ka1510 →Chair - B3LYP/6-31G(D) Optimization
- 15:2115:21, 8 March 2013 diff hist +36 Rep:Mod:ka1510 →Chair - B3LYP/6-31G(D) Optimization
- 15:2115:21, 8 March 2013 diff hist 0 N File:Activation1.png No edit summary current
- 15:1815:18, 8 March 2013 diff hist +57 Rep:Mod:ka1510 →Activation Energies
- 15:1615:16, 8 March 2013 diff hist +80 Rep:Mod:ka1510 →Activation Energies
- 15:1615:16, 8 March 2013 diff hist +46 Rep:Mod:ka1510 →Activation Energies
- 15:1215:12, 8 March 2013 diff hist +10 Rep:Mod:ka1510 →Activation Energies
- 15:0715:07, 8 March 2013 diff hist +258 Rep:Mod:ka1510 →Activation Energies
- 15:0615:06, 8 March 2013 diff hist +40 Rep:Mod:ka1510 →Intrinsic Reaction Co-ordinate(IRC)
- 15:0615:06, 8 March 2013 diff hist −14 Rep:Mod:ka1510 →Intrinsic Reaction Co-ordinate (IRC)
- 14:4014:40, 8 March 2013 diff hist +6 Rep:Mod:ka1510 →QST2 Method
- 14:4014:40, 8 March 2013 diff hist +848 Rep:Mod:ka1510 →Intrinsic Reaction Co-ordinate (IRC)
- 14:3214:32, 8 March 2013 diff hist +57 Rep:Mod:ka1510 →Boat Transition State
- 14:2414:24, 8 March 2013 diff hist −3 Rep:Mod:ka1510 →QST2 Method
- 14:2414:24, 8 March 2013 diff hist +1 Rep:Mod:ka1510 →QST2 Method
- 14:2314:23, 8 March 2013 diff hist +1 Rep:Mod:ka1510 →QST2 Method
- 14:2314:23, 8 March 2013 diff hist +1 Rep:Mod:ka1510 →QST2 Method
- 14:2214:22, 8 March 2013 diff hist +3 Rep:Mod:ka1510 →References
- 14:2214:22, 8 March 2013 diff hist +339 Rep:Mod:ka1510 →References
- 14:2214:22, 8 March 2013 diff hist +113 Rep:Mod:ka1510 →QST2 Method
- 14:0914:09, 8 March 2013 diff hist +455 Rep:Mod:ka1510 →QST2 Method
- 13:5513:55, 8 March 2013 diff hist +6 Rep:Mod:ka1510 →QST2 Method
- 13:5413:54, 8 March 2013 diff hist +548 Rep:Mod:ka1510 →QST2 Method
- 13:5213:52, 8 March 2013 diff hist −1 Rep:Mod:ka1510 →QST2 Method
- 13:5213:52, 8 March 2013 diff hist −3 Rep:Mod:ka1510 →QST2 Method
- 13:5213:52, 8 March 2013 diff hist −7 Rep:Mod:ka1510 →QST2 Method
- 13:5113:51, 8 March 2013 diff hist +20 Rep:Mod:ka1510 →QST2 Method
- 13:5113:51, 8 March 2013 diff hist −25 Rep:Mod:ka1510 →QST2 Method
- 13:5013:50, 8 March 2013 diff hist +193 Rep:Mod:ka1510 →QST2 Method
- 13:4913:49, 8 March 2013 diff hist 0 Rep:Mod:ka1510 →QST2 Method
- 13:4813:48, 8 March 2013 diff hist 0 Rep:Mod:ka1510 →QST2 Method
- 13:4813:48, 8 March 2013 diff hist +1 Rep:Mod:ka1510 →Chair Transition State
- 13:4713:47, 8 March 2013 diff hist +1 Rep:Mod:ka1510 →Lowest Energy Conformer
- 13:4613:46, 8 March 2013 diff hist 0 Rep:Mod:ka1510 →"Gauche" 1,5-hexadiene molecule
- 13:4613:46, 8 March 2013 diff hist 0 Rep:Mod:ka1510 →"Anti-periplanar" 1,5-hexadiene molecule
- 13:4613:46, 8 March 2013 diff hist 0 Rep:Mod:ka1510 →"Gauche" 1,5-hexadiene molecule
- 13:4613:46, 8 March 2013 diff hist 0 Rep:Mod:ka1510 →Ci "anti-periplanar" Conformation of 1,5-hexadiene
- 13:4513:45, 8 March 2013 diff hist +2 Rep:Mod:ka1510 →Hessian Method
- 13:4513:45, 8 March 2013 diff hist +489 Rep:Mod:ka1510 →QST2 Method