User contributions for Jjr115
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26 February 2018
- 13:1513:15, 26 February 2018 diff hist 0 N File:OPTIMISATION DIENE B3LYP ex 2 jjr115.LOG No edit summary current
- 12:3612:36, 26 February 2018 diff hist +39 Rep:JJR115 TS →Log Files for exercise 2
- 12:3112:31, 26 February 2018 diff hist +7 Rep:JJR115 TS →Thermochemistry and Orbital Interaction Analysis
- 12:3012:30, 26 February 2018 diff hist 0 N File:CORRECTED DIAGRAM secondary orbital overlap HOMO ex 2.PNG No edit summary current
- 12:2912:29, 26 February 2018 diff hist +10 Rep:JJR115 TS →Thermochemistry and Orbital Interaction Analysis
- 12:2812:28, 26 February 2018 diff hist 0 N File:HOMO ex 2 secondary orbital interaction jjr115.PNG No edit summary current
- 12:2612:26, 26 February 2018 diff hist 0 File:Secondary orbital interaction jjr115.PNG Jjr115 uploaded a new version of File:Secondary orbital interaction jjr115.PNG current
- 12:2512:25, 26 February 2018 diff hist +15 Rep:JJR115 TS →Thermochemistry and Orbital Interaction Analysis
- 12:2312:23, 26 February 2018 diff hist 0 N File:Secondary orbital overlap screenshot jjr115.PNG No edit summary current
- 12:2312:23, 26 February 2018 diff hist 0 File:Secondary orbital interaction jjr115.PNG Jjr115 uploaded a new version of File:Secondary orbital interaction jjr115.PNG
- 12:0612:06, 26 February 2018 diff hist +140 Rep:JJR115 TS →Molecular Orbital Analysis of Both Transition States
- 12:0512:05, 26 February 2018 diff hist 0 N File:B3LYP OPT FREQ UNFROZEN EXO STATE FOR WIKI MO PRINT JJR115 UNFROZEN TRANSITION STATE.LOG No edit summary
- 11:4911:49, 26 February 2018 diff hist +1,029 Rep:JJR115 TS →Exercise 3
- 11:3811:38, 26 February 2018 diff hist +31 Rep:JJR115 TS →Exercise 3
- 11:3711:37, 26 February 2018 diff hist +284 Rep:JJR115 TS →Thermochemistry and Orbital Interaction Analysis
- 11:3211:32, 26 February 2018 diff hist −3 Rep:JJR115 TS →Thermochemistry and Orbital Interaction Analysis
- 11:3111:31, 26 February 2018 diff hist +32 Rep:JJR115 TS →Thermochemistry and Orbital Interaction Analysis
24 February 2018
- 17:1917:19, 24 February 2018 diff hist −147 Rep:JJR115 TS →Molecular Orbital Analysis of Both Transition States
- 17:0817:08, 24 February 2018 diff hist +84 Rep:JJR115 TS →Molecular Orbital Analysis of Both Transition States
- 17:0417:04, 24 February 2018 diff hist 0 N File:EXO UNFROZEN TS OPTIMISED TO TS B3LYP JJR115 EX 2.LOG No edit summary current
- 16:4416:44, 24 February 2018 diff hist −4 Rep:JJR115 TS →Molecular Orbital Analysis of Both Transition States
- 16:4316:43, 24 February 2018 diff hist +44 Rep:JJR115 TS →Molecular Orbital Analysis of Both Transition States
- 16:4316:43, 24 February 2018 diff hist 0 N File:TRIAL 2 MO ENDO TRANSITION STATE UNFROZEN OPTIMISATION B3LYP EX 2 JJR115.LOG No edit summary
- 16:1416:14, 24 February 2018 diff hist 0 Rep:JJR115 TS →Molecular Orbital Analysis of Both Transition States
- 16:1316:13, 24 February 2018 diff hist +131 Rep:JJR115 TS →Molecular Orbital Analysis of Both Transition States
- 16:0916:09, 24 February 2018 diff hist 0 File:ENDO TRANSITION STATE UNFROZEN OPTIMISATION B3LYP EX 2 JJR115.LOG Jjr115 uploaded a new version of File:ENDO TRANSITION STATE UNFROZEN OPTIMISATION B3LYP EX 2 JJR115.LOG current
- 16:0716:07, 24 February 2018 diff hist +3,266 Rep:JJR115 TS →Molecular Orbital Analysis of Both Transition States
- 16:0216:02, 24 February 2018 diff hist +15 Rep:JJR115 TS →Log files
- 15:5915:59, 24 February 2018 diff hist +159 Rep:JJR115 TS →Thermochemistry and Orbital Interaction Analysis
- 15:5715:57, 24 February 2018 diff hist +733 Rep:JJR115 TS →Thermochemistry and Orbital Interaction Analysis
- 15:5115:51, 24 February 2018 diff hist +291 Rep:JJR115 TS →Thermochemistry and Orbital Interaction Analysis
- 15:4715:47, 24 February 2018 diff hist +111 Rep:JJR115 TS →Thermochemistry and Orbital Interaction Analysis
- 15:4715:47, 24 February 2018 diff hist 0 N File:Thermochemistry reaction profile ex 2 jjr115.PNG No edit summary current
- 15:4615:46, 24 February 2018 diff hist 0 N File:Secondary orbital interaction jjr115.PNG No edit summary
- 15:1015:10, 24 February 2018 diff hist +839 Rep:JJR115 TS →Thermochemistry and Orbital Interaction Analysis
- 15:0415:04, 24 February 2018 diff hist −53 Rep:JJR115 TS →IRC Calculations of Both Transition States
- 14:4614:46, 24 February 2018 diff hist −3 Rep:JJR115 TS →Locating the Exo Transition State
- 14:4514:45, 24 February 2018 diff hist −44 Rep:JJR115 TS →Locating the Endo Transition State
- 13:4713:47, 24 February 2018 diff hist +367 Rep:JJR115 TS →Molecular Orbital Analysis of Both Transition States
- 13:3313:33, 24 February 2018 diff hist +8 Rep:JJR115 TS →Molecular Orbital Analysis of Both Transition States
- 13:3213:32, 24 February 2018 diff hist +1 Rep:JJR115 TS →Molecular Orbital Analysis of Both Transition States
- 13:3113:31, 24 February 2018 diff hist 0 Rep:JJR115 TS →Molecular Orbital Analysis of Both Transition States
- 13:2913:29, 24 February 2018 diff hist +852 Rep:JJR115 TS →Molecular Orbital Analysis of Both Transition States
- 13:1013:10, 24 February 2018 diff hist +276 Rep:JJR115 TS →Molecular Orbital Analysis
- 13:0413:04, 24 February 2018 diff hist −5 Rep:JJR115 TS →Molecular Orbital Analysis of Both Transition States
- 13:0413:04, 24 February 2018 diff hist +178 Rep:JJR115 TS →Molecular Orbital Analysis of Both Transition States
- 13:0113:01, 24 February 2018 diff hist +74 Rep:JJR115 TS →Molecular Orbital Analysis of Both Transition States
- 12:5912:59, 24 February 2018 diff hist 0 Rep:JJR115 TS →Locating the Endo Transition State
- 12:5512:55, 24 February 2018 diff hist +352 Rep:JJR115 TS →Locating the Endo Transition State
- 12:5512:55, 24 February 2018 diff hist 0 N File:ENDO TRANSITION STATE UNFROZEN OPTIMISATION B3LYP EX 2 JJR115.LOG No edit summary