User contributions for Hs3911

18 March 2014

• 14:0314:03, 18 March 2014 diff hist 0 Rep:Mod:PY3HS →Activation Energies
• 14:0214:02, 18 March 2014 diff hist +411 Rep:Mod:PY3HS →Activation Energies
• 13:5513:55, 18 March 2014 diff hist +1,153 Rep:Mod:PY3HS →Activation Energies
• 13:0013:00, 18 March 2014 diff hist +309 Rep:Mod:PY3HS →Activation Energies
• 12:5212:52, 18 March 2014 diff hist +462 Rep:Mod:PY3HS →Activation Energies
• 12:4212:42, 18 March 2014 diff hist +911 Rep:Mod:PY3HS →Activation Energies
• 12:3512:35, 18 March 2014 diff hist +634 Rep:Mod:PY3HS →Intrinsic Reaction Coordinates (IRC)
• 12:3312:33, 18 March 2014 diff hist 0 N File:Chair last IRC optimisation.mol No edit summary current
• 12:3112:31, 18 March 2014 diff hist +1,636 Rep:Mod:PY3HS →Intrinsic Reaction Coordinates (IRC)
• 12:0012:00, 18 March 2014 diff hist 0 N File:IRC Graph.PNG No edit summary current
• 11:5811:58, 18 March 2014 diff hist 0 File:IRC movie.gif uploaded a new version of "File:IRC movie.gif"
• 11:4911:49, 18 March 2014 diff hist +1,318 Rep:Mod:PY3HS →Intrinsic Reaction Coordinates (IRC)
• 11:4711:47, 18 March 2014 diff hist +206 Rep:Mod:PY3HS →QST2 Method of Optimisation
• 11:4611:46, 18 March 2014 diff hist +1 Rep:Mod:PY3HS →QST2 Method of Optimisation
• 11:4611:46, 18 March 2014 diff hist +322 Rep:Mod:PY3HS →QST2 Method of Optimisation
• 11:4311:43, 18 March 2014 diff hist +11 Rep:Mod:PY3HS →Hessian Method of Optimisation
• 11:4311:43, 18 March 2014 diff hist +11 Rep:Mod:PY3HS →Frozen Coordinates Method of Optimisation
• 11:4311:43, 18 March 2014 diff hist +1,218 Rep:Mod:PY3HS →QST2 Method of Optimisation
• 11:3911:39, 18 March 2014 diff hist 0 N File:QST2 successful boat.gif No edit summary current
• 11:2711:27, 18 March 2014 diff hist +1,711 Rep:Mod:PY3HS →QST2 Method of Optimisation
• 11:2311:23, 18 March 2014 diff hist 0 File:Failed boat optimisation.PNG uploaded a new version of "File:Failed boat optimisation.PNG" current

16 March 2014

• 19:3419:34, 16 March 2014 diff hist +35 Rep:Mod:PY3HS →QST2 Method of Optimisation
• 19:3219:32, 16 March 2014 diff hist +433 Rep:Mod:PY3HS →QST2 Method of Optimisation
• 19:3119:31, 16 March 2014 diff hist 0 N File:Boat transition state reangling.PNG No edit summary current
• 19:2019:20, 16 March 2014 diff hist +122 Rep:Mod:PY3HS →QST2 Method of Optimisation
• 19:1719:17, 16 March 2014 diff hist +393 Rep:Mod:PY3HS →Boat Transition State
• 19:1619:16, 16 March 2014 diff hist 0 N File:Boat transition state renumbering.PNG No edit summary current
• 19:1019:10, 16 March 2014 diff hist 0 N File:QST2 numbering.gif No edit summary current
• 19:0719:07, 16 March 2014 diff hist +315 Rep:Mod:PY3HS →Boat Transition State
• 19:0219:02, 16 March 2014 diff hist +40 Rep:Mod:PY3HS →Hessian Method of Optimisation
• 18:5118:51, 16 March 2014 diff hist +1,657 Rep:Mod:PY3HS →Optimizing Chair and Boat Transition State Structures
• 18:3418:34, 16 March 2014 diff hist 0 File:Chair frozen coord 2.PNG uploaded a new version of "File:Chair frozen coord 2.PNG" current
• 18:3318:33, 16 March 2014 diff hist 0 N File:Chair frozen coord 2.PNG No edit summary
• 18:2118:21, 16 March 2014 diff hist +267 Rep:Mod:PY3HS →Frozen Coordinates Method of Optimisation
• 18:1518:15, 16 March 2014 diff hist +193 Rep:Mod:PY3HS →Frozen Coordinates Method of Optimisation
• 18:1118:11, 16 March 2014 diff hist 0 N File:Frozen coord 1 chair.PNG No edit summary current
• 18:0918:09, 16 March 2014 diff hist 0 File:Chair transition state frozen coord 1.mol uploaded a new version of "File:Chair transition state frozen coord 1.mol" current
• 18:0418:04, 16 March 2014 diff hist 0 N File:Chair transition state frozen coord 1.mol No edit summary
• 18:0318:03, 16 March 2014 diff hist −31 Rep:Mod:PY3HS →Frozen Coordinates Method of Optimisation
• 17:5417:54, 16 March 2014 diff hist +544 Rep:Mod:PY3HS →Frozen Coordinates Method of Optimisation
• 17:3817:38, 16 March 2014 diff hist +4 Rep:Mod:PY3HS →Frequency Analysis and Thermochemical data
• 17:3717:37, 16 March 2014 diff hist +8 Rep:Mod:PY3HS →Hessian Method of Optimisation
• 17:3717:37, 16 March 2014 diff hist +193 Rep:Mod:PY3HS →Frozen Coordinates Method of Optimisation
• 17:3017:30, 16 March 2014 diff hist +112 Rep:Mod:PY3HS →Hessian Method of Optimisation
• 17:2917:29, 16 March 2014 diff hist +210 Rep:Mod:PY3HS →Frozen Coordinates Method of Optimisation
• 17:1717:17, 16 March 2014 diff hist +673 Rep:Mod:PY3HS →Hessian Method of Optimisation
• 17:1117:11, 16 March 2014 diff hist −10 Rep:Mod:PY3HS →Hessian Method of Optimisation
• 17:0917:09, 16 March 2014 diff hist +543 Rep:Mod:PY3HS →Hessian Method of Optimisation
• 16:5516:55, 16 March 2014 diff hist 0 N File:Hessian opt chair.gif No edit summary current
• 16:5316:53, 16 March 2014 diff hist +1,393 Rep:Mod:PY3HS →Optimizing Chair and Boat Transition State Structures