User contributions for Jjr115
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24 February 2018
- 12:5212:52, 24 February 2018 diff hist +351 Rep:JJR115 TS →Locating the Exo Transition State
- 12:5212:52, 24 February 2018 diff hist 0 N File:EXO TRANSITION STATE OPTIMISATION UNFROZEN B3LYP EX 2 JJR115.LOG No edit summary current
- 12:5012:50, 24 February 2018 diff hist −1 Rep:JJR115 TS →Vibration Analysis
- 12:5012:50, 24 February 2018 diff hist −2 Rep:JJR115 TS →Locating the Endo Transition State
- 12:4912:49, 24 February 2018 diff hist 0 Rep:JJR115 TS →Locating the Exo Transition State
- 12:4612:46, 24 February 2018 diff hist +132 Rep:JJR115 TS →Exercise 2
- 12:3912:39, 24 February 2018 diff hist +9 Rep:JJR115 TS →Log Files for Exercise 1
- 12:3712:37, 24 February 2018 diff hist −13 Rep:JJR115 TS →Log Files for Exercise 1
- 12:3512:35, 24 February 2018 diff hist −7 Rep:JJR115 TS →Log Files for Exercise 1
- 12:3212:32, 24 February 2018 diff hist +340 Rep:JJR115 TS →Log Files for Exercise 1
- 12:2812:28, 24 February 2018 diff hist 0 N File:PM6 OPT FREQ OF PRODUCT ex 1 jjr115.LOG No edit summary current
- 12:2512:25, 24 February 2018 diff hist 0 N File:PM6 OPT FREQ FROZEN GUESS TRANSITION STATE ex 1 jjr115.LOG No edit summary current
- 12:2312:23, 24 February 2018 diff hist 0 N File:IRC both directions ex 1 transition state PM6 JJR115.LOG No edit summary current
- 12:1512:15, 24 February 2018 diff hist +34 Rep:JJR115 TS →Vibration Analysis
- 12:1312:13, 24 February 2018 diff hist +102 Rep:JJR115 TS →Bond Length Analysis
- 12:1112:11, 24 February 2018 diff hist +404 Rep:JJR115 TS →Molecular Orbital Analysis
- 12:0412:04, 24 February 2018 diff hist +20 Rep:JJR115 TS →Optimization, Frequency and IRC Calculation
- 12:0312:03, 24 February 2018 diff hist +39 Rep:JJR115 TS →Optimization, Frequency and IRC Calculation
- 12:0212:02, 24 February 2018 diff hist +109 Rep:JJR115 TS →Minima and Transition States
- 11:2111:21, 24 February 2018 diff hist 0 Rep:JJR115 TS →Introduction on Computational Methods
- 11:2011:20, 24 February 2018 diff hist 0 Rep:JJR115 TS →Introduction on Computational Methods
- 11:1811:18, 24 February 2018 diff hist 0 Rep:JJR115 TS →Introduction on Computational Methods
- 11:1611:16, 24 February 2018 diff hist 0 Rep:JJR115 TS →Introduction on Computational Methods
23 February 2018
- 15:3915:39, 23 February 2018 diff hist +394 Rep:JJR115 TS →Extension
- 15:3115:31, 23 February 2018 diff hist −1 Rep:JJR115 TS →Exercise 3
- 15:3115:31, 23 February 2018 diff hist +6 Rep:JJR115 TS →Exercise 3
- 15:3015:30, 23 February 2018 diff hist −6 Rep:JJR115 TS →Exercise 3
- 15:3015:30, 23 February 2018 diff hist +534 Rep:JJR115 TS →Exercise 3
- 15:2715:27, 23 February 2018 diff hist 0 N File:Two endo exo sites on reactant jjr115.PNG No edit summary current
- 15:0515:05, 23 February 2018 diff hist +239 Rep:JJR115 TS →Exercise 3
- 13:1013:10, 23 February 2018 diff hist 0 Rep:JJR115 TS →Introduction on Computational Methods
- 13:0913:09, 23 February 2018 diff hist 0 Rep:JJR115 TS →Introduction on Computational Methods
- 13:0813:08, 23 February 2018 diff hist 0 Rep:JJR115 TS →Introduction on Computational Methods
- 13:0813:08, 23 February 2018 diff hist 0 Rep:JJR115 TS →Introduction on Computational Methods
- 13:0713:07, 23 February 2018 diff hist 0 Rep:JJR115 TS →Introduction on Computational Methods
- 13:0613:06, 23 February 2018 diff hist 0 Rep:JJR115 TS →Introduction on Computational Methods
- 13:0413:04, 23 February 2018 diff hist −3 Rep:JJR115 TS →Introduction on Computational Methods
- 13:0413:04, 23 February 2018 diff hist +3 Rep:JJR115 TS →Introduction on Computational Methods
- 11:3511:35, 23 February 2018 diff hist 0 Rep:JJR115 TS →Exercise 3
- 11:3511:35, 23 February 2018 diff hist 0 N File:Ex 3 reaction scheme JJR115.PNG No edit summary current
- 11:3511:35, 23 February 2018 diff hist +358 Rep:JJR115 TS →Exercise 3
22 February 2018
21 February 2018
- 20:4420:44, 21 February 2018 diff hist +167 Rep:JJR115 TS →Optimization, Frequency and IRC Calculation
- 20:4220:42, 21 February 2018 diff hist +420 Rep:JJR115 TS →Molecular Orbital Analysis of Both Transition States
- 20:4220:42, 21 February 2018 diff hist 0 N File:Ex 2 exo reactants MO showing HOMO localised on dienophile jjr115.png No edit summary current
- 20:0120:01, 21 February 2018 diff hist +201 Rep:JJR115 TS →Bond Length Analysis
- 19:5319:53, 21 February 2018 diff hist +91 Rep:JJR115 TS →Introduction on Computational Methods
- 19:3819:38, 21 February 2018 diff hist −3 Rep:JJR115 TS →Bond Length Analysis
- 19:3719:37, 21 February 2018 diff hist +29 Rep:JJR115 TS →Bond Length Analysis
- 19:3519:35, 21 February 2018 diff hist +18 Rep:JJR115 TS →Molecular Orbital Analysis