User contributions for Jjr115
Appearance
11 March 2018
- 22:1422:14, 11 March 2018 diff hist 0 N File:Equation 2 3 jjr115.PNG No edit summary current
- 22:1322:13, 11 March 2018 diff hist 0 N File:Equation 1 jjr115.PNG No edit summary
- 22:1022:10, 11 March 2018 diff hist +34 Rep:JJR115 MGO →The MgO System
- 22:1022:10, 11 March 2018 diff hist +606 Rep:JJR115 MGO →Y3C Thermal expansion of MgO
- 19:2519:25, 11 March 2018 diff hist +47 Rep:JJR115 MGO →Y3C Thermal expansion of MgO
8 March 2018
- 18:2618:26, 8 March 2018 diff hist +30 Rep:JJR115 MGO →The MgO System
- 18:2618:26, 8 March 2018 diff hist 0 N File:MgO MD calc 300K.mp4 No edit summary current
- 18:2418:24, 8 March 2018 diff hist +258 Rep:JJR115 MGO →Introduction
- 18:2418:24, 8 March 2018 diff hist 0 N File:MgO supracell cell jjr115.PNG No edit summary current
- 18:2418:24, 8 March 2018 diff hist 0 N File:MgO Primitive cell jjr115.PNG No edit summary current
4 March 2018
- 17:3317:33, 4 March 2018 diff hist +94 Rep:JJR115 MGO →General Aims of investigation
- 17:3117:31, 4 March 2018 diff hist +95 Rep:JJR115 MGO →The MgO System
- 17:3017:30, 4 March 2018 diff hist 0 N File:MgO conventional unit cell jjr115.PNG No edit summary current
- 17:3017:30, 4 March 2018 diff hist +141 Rep:JJR115 MGO →Introduction
- 17:2317:23, 4 March 2018 diff hist +702 Rep:JJR115 MGO →Introduction
- 17:0817:08, 4 March 2018 diff hist +292 N Rep:JJR115 MGO Created page with "= Y3C Thermal expansion of MgO = == Introduction == === The MgO System === === Methodology === === General Aims of investigation === === Tools === == Results == Calculating..."
27 February 2018
- 19:2319:23, 27 February 2018 diff hist +60 Rep:JJR115 TS →Extension
- 19:2119:21, 27 February 2018 diff hist +10 Rep:JJR115 TS →Thermochemistry Results
- 19:2019:20, 27 February 2018 diff hist +538 Rep:JJR115 TS →Conclusion
- 15:4215:42, 27 February 2018 diff hist +471 Rep:JJR115 TS →Conclusion
- 15:3615:36, 27 February 2018 diff hist −24 Rep:JJR115 TS →Thermochemistry
- 15:2515:25, 27 February 2018 diff hist −57 Rep:JJR115 TS →Thermochemistry
- 15:2515:25, 27 February 2018 diff hist +294 Rep:JJR115 TS →Thermochemistry
- 15:2015:20, 27 February 2018 diff hist −401 Rep:JJR115 TS →IRC Results
- 14:3814:38, 27 February 2018 diff hist +1 Rep:JJR115 TS →IRC Results
- 14:3414:34, 27 February 2018 diff hist +331 Rep:JJR115 TS →Extension
- 14:3214:32, 27 February 2018 diff hist +279 Rep:JJR115 TS →Log Files for Extension
- 14:3214:32, 27 February 2018 diff hist 0 N File:TRIAL 4 EXTENSION OPTIMISATION TO A MINIMUM FROZEN TRANSITION STATE JJR115.LOG No edit summary current
- 14:3114:31, 27 February 2018 diff hist 0 File:EXTENSION UNFROZEN OPTIMISATION PM6 TO TRANSITION STATE JJR115.LOG Jjr115 uploaded a new version of File:EXTENSION UNFROZEN OPTIMISATION PM6 TO TRANSITION STATE JJR115.LOG current
- 14:3114:31, 27 February 2018 diff hist 0 N File:EXTENSION PM6 OPTIMISATION OF reactant JJR115.LOG No edit summary current
- 14:3114:31, 27 February 2018 diff hist 0 N File:EXTENSION PM6 OPTIMISATION OF PRODUCT JJR115 CORRECT.LOG No edit summary current
- 14:3014:30, 27 February 2018 diff hist 0 N File:EXTENSION OPT TO A MINIMUM FROZEN TRANSITION STATE JJR115.LOG No edit summary current
- 14:2914:29, 27 February 2018 diff hist 0 N File:EXTENSION IRC CALC ON TRANSITION STATE PM6 JJR115.LOG No edit summary current
- 14:2914:29, 27 February 2018 diff hist 0 N File:EXTENSION B3LYP OPTIMISATION OF reactant JJR115.LOG No edit summary current
- 14:2114:21, 27 February 2018 diff hist +7 Rep:JJR115 TS →Extension
- 14:2014:20, 27 February 2018 diff hist 0 N File:Reaction scheme extension jjr115.PNG No edit summary current
- 14:2014:20, 27 February 2018 diff hist +106 Rep:JJR115 TS →Extension
- 14:1814:18, 27 February 2018 diff hist +7 Rep:JJR115 TS →IRC Results
- 14:0114:01, 27 February 2018 diff hist −4 Rep:JJR115 TS →Thermochemistry Results
- 14:0114:01, 27 February 2018 diff hist 0 File:Thermo data ex 3 jjr115.png Jjr115 uploaded a new version of File:Thermo data ex 3 jjr115.png current
- 10:4110:41, 27 February 2018 diff hist −184 Rep:JJR115 TS →Extension
- 10:4010:40, 27 February 2018 diff hist +205 Rep:JJR115 TS →References
- 10:3910:39, 27 February 2018 diff hist +620 Rep:JJR115 TS →Extension
- 10:3710:37, 27 February 2018 diff hist 0 N File:Screen Shot 2018-02-27 at 10.37.16 jjr115.png No edit summary current
- 10:3410:34, 27 February 2018 diff hist +315 Rep:JJR115 TS →IRC Results
- 10:2710:27, 27 February 2018 diff hist +388 Rep:JJR115 TS →Extension
- 10:1710:17, 27 February 2018 diff hist −108 Rep:JJR115 TS →References
- 10:0910:09, 27 February 2018 diff hist +43 Rep:JJR115 TS →Extension
- 10:0810:08, 27 February 2018 diff hist +14 Rep:JJR115 TS →Extension
- 10:0610:06, 27 February 2018 diff hist +132 Rep:JJR115 TS →IRC Results