User contributions for Xt810
Appearance
2 November 2012
- 14:1814:18, 2 November 2012 diff hist +80 Rep:Xiaojie102818 →Molecule orbital
- 14:1414:14, 2 November 2012 diff hist +103 Rep:Xiaojie102818 →AM1 optimised ciabutadiene
- 14:1314:13, 2 November 2012 diff hist 0 N File:Pg.PNG No edit summary current
- 14:0614:06, 2 November 2012 diff hist −6 Rep:Xiaojie102818 →The Diels Alder Cycloaddition
- 14:0614:06, 2 November 2012 diff hist +1 Rep:Xiaojie102818 →Result Table
- 14:0614:06, 2 November 2012 diff hist +6 Rep:Xiaojie102818 →Result Table
- 14:0414:04, 2 November 2012 diff hist −8 Rep:Xiaojie102818 →Result Table
- 14:0314:03, 2 November 2012 diff hist −12 Rep:Xiaojie102818 →Chair TS
- 14:0314:03, 2 November 2012 diff hist −11 Rep:Xiaojie102818 →Optimisation of Chair and Boat by using B3LYP/6-31G*
- 14:0214:02, 2 November 2012 diff hist −24 Rep:Xiaojie102818 →IRC Analysis of Chair Transition state
- 14:0114:01, 2 November 2012 diff hist −17 Rep:Xiaojie102818 →Boat transition state
- 14:0114:01, 2 November 2012 diff hist −28 Rep:Xiaojie102818 →Chair transition state-guess structure
- 13:5813:58, 2 November 2012 diff hist +27 Rep:Xiaojie102818 →B3LYP/6-31G* Optimised (Anti2) 1,5-hexadiene
- 13:5813:58, 2 November 2012 diff hist +265 Rep:Xiaojie102818 →B3LYP/6-31G* Optimised (Anti2) 1,5-hexadiene
- 13:5113:51, 2 November 2012 diff hist 0 Rep:Xiaojie102818 →Lowest energy conformation-(gauche3)
- 13:5113:51, 2 November 2012 diff hist +78 Rep:Xiaojie102818 →Lowest energy conformation-(gauche3)
- 13:4813:48, 2 November 2012 diff hist −15 Rep:Xiaojie102818 →HF/3-21G Optimised (Gauche1) 1,5-hexadiene
- 13:4613:46, 2 November 2012 diff hist −10 Rep:Xiaojie102818 →HF/3-21G Optimised (Gauche1) 1,5-hexadiene
- 13:4513:45, 2 November 2012 diff hist −7 Rep:Xiaojie102818 →HF/3-21G Optimised (Anti 1) 1,5-hexadiene
- 13:4513:45, 2 November 2012 diff hist −6 Rep:Xiaojie102818 →The Cope Rearrangement Tutorial
- 13:4513:45, 2 November 2012 diff hist −6 Rep:Xiaojie102818 →Module 3
- 13:4413:44, 2 November 2012 diff hist +8 Rep:Xiaojie102818 →HF/3-21G Optimised (Anti 1) 1,5-hexadiene
- 13:4313:43, 2 November 2012 diff hist −39 Rep:Xiaojie102818 →HF/3-21G Optimised (Anti 1) 1,5-hexadiene
- 13:3913:39, 2 November 2012 diff hist +66 Rep:Xiaojie102818 →The Cope Rearrangement Tutorial
- 13:3713:37, 2 November 2012 diff hist 0 N File:Reaction core rearrangement.PNG No edit summary current
- 12:5712:57, 2 November 2012 diff hist +3 Rep:Xiaojie102818 →EXO AND ENDO Selectivity
- 12:5712:57, 2 November 2012 diff hist +35 Rep:Xiaojie102818 →Geometry Information
- 12:5312:53, 2 November 2012 diff hist +216 Rep:Xiaojie102818 →Geometry Information
- 12:4712:47, 2 November 2012 diff hist −88 Rep:Xiaojie102818 →Geometry Information
- 12:4612:46, 2 November 2012 diff hist +127 Rep:Xiaojie102818 →Geometry Information
- 12:4112:41, 2 November 2012 diff hist 0 N File:LOWEST FREQUENCY.gif No edit summary current
- 12:4012:40, 2 November 2012 diff hist 0 N File:IMAGINARY FREQUENCY.gif No edit summary current
- 12:3112:31, 2 November 2012 diff hist +24 Rep:Xiaojie102818 No edit summary
- 12:2912:29, 2 November 2012 diff hist +39 Rep:Xiaojie102818 →Molecule Orbital
- 12:1712:17, 2 November 2012 diff hist +9,350 Xiaojie1028 No edit summary
- 09:5309:53, 2 November 2012 diff hist +4 Rep:Xiaojie102818 →EXO AND ENDO Selectivity
- 09:5209:52, 2 November 2012 diff hist +104 Rep:Xiaojie102818 →Molecule Orbital
- 09:5109:51, 2 November 2012 diff hist 0 N File:MO xiaojie.bmp No edit summary current
- 09:0309:03, 2 November 2012 diff hist +1 Rep:Xiaojie102818 →References
- 09:0309:03, 2 November 2012 diff hist +18 Rep:Xiaojie102818 →Exo
- 09:0209:02, 2 November 2012 diff hist +2 Rep:Xiaojie102818 →The Diels Alder Cycloaddition
- 09:0209:02, 2 November 2012 diff hist +2 Rep:Xiaojie102818 →Result Table
- 09:0209:02, 2 November 2012 diff hist +5 Rep:Xiaojie102818 →Boat TS
- 09:0209:02, 2 November 2012 diff hist +5 Rep:Xiaojie102818 →Frequency analysis of B3LYP/6-31G*optimised transition state
- 09:0109:01, 2 November 2012 diff hist +3 Rep:Xiaojie102818 →B3LYP/6-31G* optimised Boat transition state
- 09:0109:01, 2 November 2012 diff hist +6 Rep:Xiaojie102818 →Optimisation of Chair and Boat by using B3LYP/6-31G*
- 09:0109:01, 2 November 2012 diff hist +5 Rep:Xiaojie102818 →IRC Analysis of Chair Transition state
- 09:0009:00, 2 November 2012 diff hist +4 Rep:Xiaojie102818 →Boat transition state
- 09:0009:00, 2 November 2012 diff hist −17 Rep:Xiaojie102818 →Reactant/product-QST2 calculation
- 08:5908:59, 2 November 2012 diff hist +4 Rep:Xiaojie102818 →Reoptimisation after Redundant Coord Editor