User contributions for Sds111
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15 March 2014
- 17:3217:32, 15 March 2014 diff hist +2 Rep:Mod:CHEM121500122000 →(g) Calculating the activation energy for the reaction using both transition states
- 17:2817:28, 15 March 2014 diff hist +108 Rep:Mod:CHEM121500122000 →(g) Calculating the activation energy for the reaction using both transition states
- 17:2617:26, 15 March 2014 diff hist +440 Rep:Mod:CHEM121500122000 →(g) Calculating the activation energy for the reaction using both transition states
- 17:1517:15, 15 March 2014 diff hist 0 Rep:Mod:CHEM121500122000 No edit summary
- 17:1417:14, 15 March 2014 diff hist +606 Rep:Mod:CHEM121500122000 →(f) Intrinsic Reaction Coordinate Method
- 17:0517:05, 15 March 2014 diff hist +288 Rep:Mod:CHEM121500122000 →1. Running a minimization from the last point on the IRC
- 16:5016:50, 15 March 2014 diff hist +229 Rep:Mod:CHEM121500122000 →(f) Intrinsic Reaction Coordinate Method
- 16:4416:44, 15 March 2014 diff hist +101 Rep:Mod:CHEM121500122000 No edit summary
- 16:4116:41, 15 March 2014 diff hist −26 Rep:Mod:CHEM121500122000 →(f) Intrinsic Reaction Coordinate Method
- 16:4016:40, 15 March 2014 diff hist 0 File:MovieofIRC.gif uploaded a new version of "File:MovieofIRC.gif" current
- 16:3016:30, 15 March 2014 diff hist 0 Rep:Mod:CHEM121500122000 →(f) Intrinsic Reaction Coordinate Method
- 16:3016:30, 15 March 2014 diff hist +84 Rep:Mod:CHEM121500122000 →(f) Intrinsic Reaction Coordinate Method
- 16:2116:21, 15 March 2014 diff hist +793 Rep:Mod:CHEM121500122000 →(e) Optimising the boat TS structure, using the QST2 method
- 16:0616:06, 15 March 2014 diff hist +35 Rep:Mod:CHEM121500122000 →(d) PART D!
- 16:0516:05, 15 March 2014 diff hist +6 Rep:Mod:CHEM121500122000 →(e) Optimising the boat TS structure, using the QST2 method
- 16:0316:03, 15 March 2014 diff hist +127 Rep:Mod:CHEM121500122000 →(e) Optimising the boat TS structure, using the QST2 method
- 16:0216:02, 15 March 2014 diff hist +1 Rep:Mod:CHEM121500122000 →(c) Optimising the structure using the frozen coordinate method.
- 15:5215:52, 15 March 2014 diff hist +195 Rep:Mod:CHEM121500122000 →(c) Optimising the structure using the frozen coordinate method.
- 15:4415:44, 15 March 2014 diff hist +1 Rep:Mod:CHEM121500122000 →(a) Allyl (CH2CHCH2) fragment optimization
- 15:4115:41, 15 March 2014 diff hist +40 Rep:Mod:CHEM121500122000 →(b) Optimising to a TS (Berny) for a chair TS.
- 15:4015:40, 15 March 2014 diff hist +169 Rep:Mod:CHEM121500122000 No edit summary
- 15:3415:34, 15 March 2014 diff hist +41 Rep:Mod:CHEM121500122000 →Optimizing the chair and boat TS structures
- 15:3115:31, 15 March 2014 diff hist +58 Rep:Mod:CHEM121500122000 →Optimizing the chair and boat TS structures
- 15:2815:28, 15 March 2014 diff hist −1 Rep:Mod:CHEM121500122000 →Thermochemical Data
- 15:2715:27, 15 March 2014 diff hist +1 Rep:Mod:CHEM121500122000 →Comparison between the HF/3-21G and B3LYP/6-31G* levels of theory.
- 15:2715:27, 15 March 2014 diff hist +101 Rep:Mod:CHEM121500122000 →Comparison between the HF/3-21G and B3LYP/6-31G* levels of theory.
- 15:2415:24, 15 March 2014 diff hist +1 Rep:Mod:CHEM121500122000 →The Anti2 conformation.
- 15:2415:24, 15 March 2014 diff hist −4 Rep:Mod:CHEM121500122000 No edit summary
- 15:2415:24, 15 March 2014 diff hist 0 Rep:Mod:CHEM121500122000 →IR Data
- 15:2315:23, 15 March 2014 diff hist −1 Rep:Mod:CHEM121500122000 →The Anti2 conformation.
- 15:2215:22, 15 March 2014 diff hist +2 Rep:Mod:CHEM121500122000 →Optimizing the chair and boat TS structures
- 15:2215:22, 15 March 2014 diff hist +2 Rep:Mod:CHEM121500122000 →Thermochemical Data
- 15:2115:21, 15 March 2014 diff hist +87 Rep:Mod:CHEM121500122000 →Thermochemical Data
- 15:1815:18, 15 March 2014 diff hist +2 Rep:Mod:CHEM121500122000 →Thermochemical Data
- 15:1815:18, 15 March 2014 diff hist +2 Rep:Mod:CHEM121500122000 →IR Data
- 15:1715:17, 15 March 2014 diff hist +4 Rep:Mod:CHEM121500122000 →Thermochemical Data
- 15:1615:16, 15 March 2014 diff hist +41 Rep:Mod:CHEM121500122000 →Thermochemical Data
- 15:1515:15, 15 March 2014 diff hist −70 Rep:Mod:CHEM121500122000 →Thermochemical Data
- 15:1515:15, 15 March 2014 diff hist +1 Rep:Mod:CHEM121500122000 →Thermochemical Data
- 15:1415:14, 15 March 2014 diff hist +790 Rep:Mod:CHEM121500122000 →IR Data
- 14:5514:55, 15 March 2014 diff hist +70 Rep:Mod:CHEM121500122000 No edit summary
- 14:4714:47, 15 March 2014 diff hist +14 Rep:Mod:CHEM121500122000 No edit summary
- 14:4614:46, 15 March 2014 diff hist −2 Rep:Mod:CHEM121500122000 No edit summary
- 14:4514:45, 15 March 2014 diff hist +26 Rep:Mod:CHEM121500122000 No edit summary
- 13:4613:46, 15 March 2014 diff hist +70 Rep:Mod:CHEM121500122000 →Optimizing energies of 1,5-hexadiene
- 13:4413:44, 15 March 2014 diff hist +13 Rep:Mod:CHEM121500122000 →Optimizing energies of 1,5-hexadiene
- 13:4213:42, 15 March 2014 diff hist +118 Rep:Mod:CHEM121500122000 →Optimizing energies of 1,5-hexadiene
- 13:2013:20, 15 March 2014 diff hist +7 Rep:Mod:CHEM121500122000 →Optimizing energies of 1,5-hexadiene
- 13:1713:17, 15 March 2014 diff hist +405 Rep:Mod:CHEM121500122000 →Optimizing energies of 1,5-hexadiene
- 12:1112:11, 15 March 2014 diff hist +588 Rep:Mod:CHEM121500122000 No edit summary