User contributions for Ft311
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1 November 2013
- 14:4514:45, 1 November 2013 diff hist +12 Rep:Mod:fred234 →Intrinsic reaction coordinate (Chair)
- 14:4414:44, 1 November 2013 diff hist −6 Rep:Mod:fred234 →Intrinsic reaction coordinate (Chair)
- 14:4414:44, 1 November 2013 diff hist +12 Rep:Mod:fred234 →Intrinsic reaction coordinate (Chair)
- 14:4314:43, 1 November 2013 diff hist +246 Rep:Mod:fred234 →Intrinsic reaction coordinate
- 14:4314:43, 1 November 2013 diff hist 0 N File:IRC reaction path gradient norm.PNG No edit summary current
- 14:3414:34, 1 November 2013 diff hist 0 N File:IRC reaction path.PNG No edit summary current
- 14:2914:29, 1 November 2013 diff hist +56 Rep:Mod:fred234 →Further comments
- 14:2514:25, 1 November 2013 diff hist +14 Rep:Mod:fred234 →Further comments
- 14:2514:25, 1 November 2013 diff hist +38 Rep:Mod:fred234 →Secondary orbital interactions
- 14:2014:20, 1 November 2013 diff hist −81 Rep:Mod:fred234 →Bond lengths
- 14:1814:18, 1 November 2013 diff hist +32 Rep:Mod:fred234 →Bond lengths
- 14:1714:17, 1 November 2013 diff hist +2 Rep:Mod:fred234 →Bond lengths
- 14:1614:16, 1 November 2013 diff hist −14 Rep:Mod:fred234 →Bond lengths
- 14:1514:15, 1 November 2013 diff hist +175 Rep:Mod:fred234 →Bond lengths
- 14:1314:13, 1 November 2013 diff hist +232 Rep:Mod:fred234 →Bond lengths
- 14:0814:08, 1 November 2013 diff hist −1 Rep:Mod:fred234 →Bond lengths
- 14:0814:08, 1 November 2013 diff hist +45 Rep:Mod:fred234 →Bond lengths
- 14:0214:02, 1 November 2013 diff hist −1 Rep:Mod:fred234 →Bond lengths
- 14:0114:01, 1 November 2013 diff hist −14 Rep:Mod:fred234 →Secondary orbital interactions
- 14:0014:00, 1 November 2013 diff hist +5 Rep:Mod:fred234 →Further comments
- 14:0014:00, 1 November 2013 diff hist +6 Rep:Mod:fred234 →Further comments
- 13:5913:59, 1 November 2013 diff hist +15 Rep:Mod:fred234 →References
- 13:5413:54, 1 November 2013 diff hist +68 Rep:Mod:fred234 →Secondary orbital interactions
- 13:4213:42, 1 November 2013 diff hist −1 Rep:Mod:fred234 →Summary table
- 13:4013:40, 1 November 2013 diff hist +180 Rep:Mod:fred234 →Bond lengths
- 13:2013:20, 1 November 2013 diff hist +1 Rep:Mod:fred234 →Thermochemistry at 0 K
- 13:1913:19, 1 November 2013 diff hist 0 Rep:Mod:fred234 →Thermochemistry at 0 K
- 13:0613:06, 1 November 2013 diff hist −1 Rep:Mod:fred234 →Thermochemistry at 0 K
- 13:0513:05, 1 November 2013 diff hist 0 Rep:Mod:fred234 →Thermochemistry at 0 K
- 13:0313:03, 1 November 2013 diff hist +70 Rep:Mod:fred234 →Comments about the tutorial
- 12:5412:54, 1 November 2013 diff hist −3 Rep:Mod:fred234 →Summary table
- 12:5312:53, 1 November 2013 diff hist +31 Rep:Mod:fred234 →Summary of energies
- 12:5112:51, 1 November 2013 diff hist +45 Rep:Mod:fred234 →Summary table
- 12:5112:51, 1 November 2013 diff hist 0 Rep:Mod:fred234 →Summary table
- 12:5012:50, 1 November 2013 diff hist +43 Rep:Mod:fred234 →Summary table
- 12:4612:46, 1 November 2013 diff hist 0 File:CYCLOHEXENE OPTIMISATION frequency.log uploaded a new version of "File:CYCLOHEXENE OPTIMISATION frequency.log" current
- 12:4512:45, 1 November 2013 diff hist 0 N File:ENDO DIELS ALDER.LOG No edit summary current
- 12:4512:45, 1 November 2013 diff hist 0 N File:EXO DIELS ALDER.LOG No edit summary current
- 12:4512:45, 1 November 2013 diff hist 0 File:CYCLOHEXENE OPTIMISATION frequency.log uploaded a new version of "File:CYCLOHEXENE OPTIMISATION frequency.log"
- 12:4212:42, 1 November 2013 diff hist +70 Rep:Mod:fred234 →Cyclohexene
- 12:4112:41, 1 November 2013 diff hist 0 N File:CYCLOHEXENE OPTIMISATION frequency.log No edit summary
- 12:3912:39, 1 November 2013 diff hist −6 Rep:Mod:fred234 →Summary table for the Hessian optimised chair transition state
- 12:3812:38, 1 November 2013 diff hist −3 Rep:Mod:fred234 →Intrinsic reaction coordinate
- 12:3812:38, 1 November 2013 diff hist −3 Rep:Mod:fred234 →Summary table
- 12:3712:37, 1 November 2013 diff hist −2 Rep:Mod:fred234 →Summary table for the Hessian optimised chair transition state
- 12:3712:37, 1 November 2013 diff hist −3 Rep:Mod:fred234 →Optimising using the frozen coordinate method
- 12:3612:36, 1 November 2013 diff hist −3 Rep:Mod:fred234 →Chair
- 12:3612:36, 1 November 2013 diff hist −3 Rep:Mod:fred234 →Summary table
- 12:3512:35, 1 November 2013 diff hist −3 Rep:Mod:fred234 →Summary table
- 12:3512:35, 1 November 2013 diff hist −3 Rep:Mod:fred234 →Summary table