User contributions for Aed12
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12 February 2015
- 17:2717:27, 12 February 2015 diff hist +2,249 Rep:Mod:aed127 →Simulations Under Specific Conditions
- 16:4316:43, 12 February 2015 diff hist +1,447 Rep:Mod:aed127 →Simulations Under Specific Conditions
- 16:3916:39, 12 February 2015 diff hist +3,050 Rep:Mod:aed127 →Equilibration
- 15:4315:43, 12 February 2015 diff hist +1,413 Rep:Mod:aed127 →Equilibration
- 15:1815:18, 12 February 2015 diff hist 0 N File:Aed127All 5.PNG No edit summary current
11 February 2015
- 16:0216:02, 11 February 2015 diff hist +631 Rep:Mod:aed127 →Calculating Heat Capacities
- 14:4114:41, 11 February 2015 diff hist +52 Rep:Mod:aed127 →Equilibration
- 14:3614:36, 11 February 2015 diff hist +176 Rep:Mod:aed127 →Equilibration
- 14:3214:32, 11 February 2015 diff hist 0 N File:Zoomedaed127.PNG No edit summary current
- 14:2914:29, 11 February 2015 diff hist +241 Rep:Mod:aed127 →Periodic Boundary Conditions
- 14:1914:19, 11 February 2015 diff hist +1,050 Rep:Mod:aed127 →Atomic Forces
- 14:0414:04, 11 February 2015 diff hist +388 Rep:Mod:aed127 →Numerical Integration
- 13:4613:46, 11 February 2015 diff hist +459 Rep:Mod:aed127 →Third Year Simulation Experiment
- 13:4013:40, 11 February 2015 diff hist 0 N File:0.001TotalEnergyaed127.PNG No edit summary current
- 13:3913:39, 11 February 2015 diff hist 0 N File:0.001Tempaed127.PNG No edit summary current
- 13:3813:38, 11 February 2015 diff hist 0 N File:0.001Pressureaed127.PNG No edit summary current
- 12:5912:59, 11 February 2015 diff hist +954 Rep:Mod:aed127 →Atomic Forces
- 12:2212:22, 11 February 2015 diff hist +193 Rep:Mod:aed127 →Atomic Forces
- 12:1912:19, 11 February 2015 diff hist +696 Rep:Mod:aed127 →Atomic Forces
- 12:0612:06, 11 February 2015 diff hist +150 Rep:Mod:aed127 →Numerical Integration
- 12:0012:00, 11 February 2015 diff hist 0 N File:Total Energyaed127.PNG No edit summary current
- 11:5911:59, 11 February 2015 diff hist 0 N File:Erroraed127.PNG No edit summary current
- 11:5711:57, 11 February 2015 diff hist 0 N File:Analyticalaed127.PNG No edit summary current
- 11:5611:56, 11 February 2015 diff hist +2,636 Rep:Mod:aed127 →Equilibration
- 11:5011:50, 11 February 2015 diff hist +946 Rep:Mod:aed127 →Atomic Forces
- 11:0611:06, 11 February 2015 diff hist +215 Rep:Mod:aed127 →Introduction
- 11:0311:03, 11 February 2015 diff hist +701 Rep:Mod:aed127 →Numerical Integration
10 February 2015
6 February 2015
- 16:0716:07, 6 February 2015 diff hist +764 Rep:Mod:aed127 →The Classical Particle Approximation
- 15:2715:27, 6 February 2015 diff hist +138 Rep:Mod:aed127 →The Classical Particle Approximation
- 15:1715:17, 6 February 2015 diff hist +676 Rep:Mod:aed127 No edit summary
2 February 2015
- 16:5016:50, 2 February 2015 diff hist +228 Rep:Mod:aed127 →Third Year Simulation Experiment
- 13:4013:40, 2 February 2015 diff hist +34 N Rep:Mod:aed127 Created page with "=Third Year Simulation Experiment="
19 December 2014
- 10:5110:51, 19 December 2014 diff hist +146 Rep:Mod:aed12 →Ethane: B3LYP/6-31G level
- 10:5110:51, 19 December 2014 diff hist 0 N File:Aed12 nh3bh3 pop summa.PNG No edit summary current
- 10:5010:50, 19 December 2014 diff hist 0 N File:Aed12 ethane pop summa.PNG No edit summary current
- 10:4810:48, 19 December 2014 diff hist −33 Rep:Mod:aed12 →NF3BH3: B3LYP/6-31G level
- 10:4810:48, 19 December 2014 diff hist +948 Rep:Mod:aed12 →NF3BH3: B3LYP/6-31G level
- 10:3810:38, 19 December 2014 diff hist 0 N File:AED12 nf3bh3 population.PNG No edit summary current
- 10:3810:38, 19 December 2014 diff hist +12 Rep:Mod:aed12 →NF3BH3: B3LYP/6-31G level
- 10:3710:37, 19 December 2014 diff hist 0 N File:AED12 nf3bh3 population sum.PNG No edit summary current
- 10:3510:35, 19 December 2014 diff hist −39 Rep:Mod:aed12 →NF3BH3: B3LYP/6-31G level
- 10:3410:34, 19 December 2014 diff hist 0 N File:Aed12 nf3bh3 631g dp.mol No edit summary current
- 10:3210:32, 19 December 2014 diff hist 0 N File:AED12 nf3bh3 freq sum.PNG No edit summary current
- 10:2910:29, 19 December 2014 diff hist 0 N File:AED12 nf3bh3 opt sum.PNG No edit summary current
- 10:2710:27, 19 December 2014 diff hist 0 N File:Aed12 nf3bh3 opt.mol No edit summary current
- 10:2510:25, 19 December 2014 diff hist +41 Rep:Mod:aed12 →NBO Analysis
- 10:2210:22, 19 December 2014 diff hist +81 Rep:Mod:aed12 →Questions
- 10:1710:17, 19 December 2014 diff hist −12 Rep:Mod:aed12 →References
- 10:1710:17, 19 December 2014 diff hist +25 Rep:Mod:aed12 →References