Jump to content

User contributions for Pa2612

Results for Pa2612 talk block log uploads logs

A user with 637 edits. Account created on 8 December 2014.

22:4122:41, 7 February 2015 diff hist +167 Rep:Mod:PA2612MD →Numerical Integration
16:4116:41, 7 February 2015 diff hist +1 Rep:Mod:PA2612MD →Checking Equilibration

13:3213:32, 5 February 2015 diff hist +455 Rep:Mod:PA2612MD →Plotting the Equation of state
13:3013:30, 5 February 2015 diff hist 0 N File:PA Graph 2.8.PNG No edit summary current
13:2413:24, 5 February 2015 diff hist +261 Rep:Mod:PA2612MD →Running simulations under specific condition
13:2313:23, 5 February 2015 diff hist 0 N File:PA graph 2.6.PNG No edit summary current
12:5412:54, 5 February 2015 diff hist +366 Rep:Mod:PA2612MD →Running simulations under specific condition
12:3512:35, 5 February 2015 diff hist −2 Rep:Mod:PA2612MD →Running simulations under specific condition
12:3512:35, 5 February 2015 diff hist +510 Rep:Mod:PA2612MD →Checking Equilibration

16:4916:49, 3 February 2015 diff hist +49 Rep:Mod:PA2612MD →Checking Equilibration
16:4916:49, 3 February 2015 diff hist 0 N File:PA energy vs time all.PNG No edit summary current
16:4316:43, 3 February 2015 diff hist +236 Rep:Mod:PA2612MD →Checking Equilibration
16:4316:43, 3 February 2015 diff hist 0 N File:PA temp V time.PNG No edit summary current
16:4216:42, 3 February 2015 diff hist 0 N File:PA pressure V time.PNG No edit summary current
16:3916:39, 3 February 2015 diff hist 0 N File:PA energy V time.PNG No edit summary current
16:2516:25, 3 February 2015 diff hist +742 Rep:Mod:PA2612MD →Running the Simulation
16:0916:09, 3 February 2015 diff hist +1 Rep:Mod:PA2612MD →Setting the properties of the atom
16:0816:08, 3 February 2015 diff hist +1,258 Rep:Mod:PA2612MD →Creating the simulation box
15:4115:41, 3 February 2015 diff hist +22 Rep:Mod:PA2612MD →Creating the simulation box
15:4015:40, 3 February 2015 diff hist +2 Rep:Mod:PA2612MD →Equilibration
15:3915:39, 3 February 2015 diff hist +1,008 Rep:Mod:PA2612MD →Creating the simulation box
15:1315:13, 3 February 2015 diff hist +741 Rep:Mod:PA2612MD →Equilibration
14:5614:56, 3 February 2015 diff hist −6 Rep:Mod:PA2612MD →Leonard Jones Potential
14:5614:56, 3 February 2015 diff hist +23 Rep:Mod:PA2612MD →Leonard Jones Potential

16:4616:46, 2 February 2015 diff hist +138 Rep:Mod:PA2612MD →Leonard Jones Potential
16:3316:33, 2 February 2015 diff hist +221 Rep:Mod:PA2612MD →Leonard Jones Potential
16:2816:28, 2 February 2015 diff hist +142 Rep:Mod:PA2612MD →Leonard Jones Potential
16:2316:23, 2 February 2015 diff hist +538 Rep:Mod:PA2612MD →Numerical Integration
16:0716:07, 2 February 2015 diff hist +232 Rep:Mod:PA2612MD →Numerical Integration
15:5215:52, 2 February 2015 diff hist +497 Rep:Mod:PA2612MD →Molecular Dynamics Simulation
11:4511:45, 2 February 2015 diff hist +33 N Rep:Mod:PA2612MD Created page with "= Molecular Dynamics Simulation ="

10:1910:19, 19 December 2014 diff hist −1 Rep:Mod:PA2612 →Geometry Comparison
10:1810:18, 19 December 2014 diff hist −11 Rep:Mod:PA2612 →GaBr3:B3LYP/LANL2DZ
10:1710:17, 19 December 2014 diff hist −11 Rep:Mod:PA2612 →BH3:B3LYP/6-31G(d,p)
10:1610:16, 19 December 2014 diff hist −12 Rep:Mod:PA2612 →BH3:B3LYP/3-21G Optimization
10:0110:01, 19 December 2014 diff hist +32 Rep:Mod:PA2612 →Full MO comparison
09:5409:54, 19 December 2014 diff hist +151 Rep:Mod:PA2612 →MO comparison
09:5009:50, 19 December 2014 diff hist +86 Rep:Mod:PA2612 →Full MO comparison
09:4709:47, 19 December 2014 diff hist +186 Rep:Mod:PA2612 →MO comparison
09:3809:38, 19 December 2014 diff hist +125 Rep:Mod:PA2612 →Charge Distribution Analysis
09:3209:32, 19 December 2014 diff hist +73 Rep:Mod:PA2612 →NBO Analysis
09:2909:29, 19 December 2014 diff hist +3 Rep:Mod:PA2612 →Frequency
09:2809:28, 19 December 2014 diff hist +1 Rep:Mod:PA2612 →Optimization
09:2709:27, 19 December 2014 diff hist +70 Rep:Mod:PA2612 →NBO Analysis
09:2409:24, 19 December 2014 diff hist +4 Rep:Mod:PA2612 →NBO Analysis
09:2309:23, 19 December 2014 diff hist −3 Rep:Mod:PA2612 →Frequency
09:2209:22, 19 December 2014 diff hist +31 Rep:Mod:PA2612 →Optimization
09:2009:20, 19 December 2014 diff hist +14 Rep:Mod:PA2612 →NBO Analysis
09:1509:15, 19 December 2014 diff hist +73 Rep:Mod:PA2612 →Aromaticity
09:1309:13, 19 December 2014 diff hist −26 Rep:Mod:PA2612 →NBO Analysis

Retrieved from "https://chemwiki.ch.ic.ac.uk/wiki/Special:Contributions/Pa2612"