User contributions for Js4913

5 February 2016

• 00:3100:31, 5 February 2016 diff hist +1 Rep:Mod:TSjs4913 →Chair Transition Structure
• 00:3000:30, 5 February 2016 diff hist +279 Rep:Mod:TSjs4913 →Chair Transition Structure
• 00:2800:28, 5 February 2016 diff hist +16 Rep:Mod:TSjs4913 →The Diels-Alder Cycloaddition
• 00:2700:27, 5 February 2016 diff hist +1,057 Rep:Mod:TSjs4913 →Optimizing the "Chair" and "Boat" Transition Structures

2 February 2016

• 14:2014:20, 2 February 2016 diff hist 0 Rep:Mod:TSjs4913 →Vibrational modes and energy modes for "anti2" 1,5-hexadiene
• 14:2014:20, 2 February 2016 diff hist +321 Rep:Mod:TSjs4913 →The Cope Rearrangement Tutorial
• 14:1414:14, 2 February 2016 diff hist +4 Rep:Mod:TSjs4913 →Vibrational modes and energy modes for "anti2" 1,5-hexadiene
• 14:1414:14, 2 February 2016 diff hist +1,399 Rep:Mod:TSjs4913 →Optimising the Reactants and Products
• 14:0414:04, 2 February 2016 diff hist 0 N File:Side by side 2.png No edit summary current
• 13:5513:55, 2 February 2016 diff hist −2 Rep:Mod:TSjs4913 →Optimising the Reactants and Products
• 13:5113:51, 2 February 2016 diff hist −34 Rep:Mod:TSjs4913 →Optimising the Reactants and Products
• 13:5013:50, 2 February 2016 diff hist 0 Rep:Mod:TSjs4913 →Optimising the Reactants and Products
• 13:5013:50, 2 February 2016 diff hist −8 Rep:Mod:TSjs4913 →Optimising the "anti2" conformer of 1,5-hexadiene
• 13:4813:48, 2 February 2016 diff hist +561 Rep:Mod:TSjs4913 →Optimising the Reactants and Products
• 13:4813:48, 2 February 2016 diff hist 0 N File:ANTI2REAL2.LOG No edit summary
• 13:4113:41, 2 February 2016 diff hist 0 Rep:Mod:TSjs4913 →Optimising the Reactants and Products
• 13:4013:40, 2 February 2016 diff hist +5 Rep:Mod:TSjs4913 →Optimising the Reactants and Products
• 13:3813:38, 2 February 2016 diff hist +307 Rep:Mod:TSjs4913 →Optimising the Reactants and Products
• 13:1513:15, 2 February 2016 diff hist +2 Rep:Mod:TSjs4913 →Optimising the Reactants and Products
• 13:1513:15, 2 February 2016 diff hist 0 Rep:Mod:TSjs4913 →Lowest Energy conformers of 1,5-hexadiene
• 13:1413:14, 2 February 2016 diff hist 0 Rep:Mod:TSjs4913 →Optimising the "Gauche" conformation of 1,5-hexadiene
• 13:1213:12, 2 February 2016 diff hist +340 Rep:Mod:TSjs4913 →Optimising the Reactants and Products
• 13:1213:12, 2 February 2016 diff hist 0 N File:COPEREARRANGE2.LOG No edit summary current
• 13:0813:08, 2 February 2016 diff hist 0 N File:COPEREARRANGE1.LOG No edit summary current
• 12:4912:49, 2 February 2016 diff hist +1,446 Rep:Mod:TSjs4913 →Optimising the Reactants and Products

1 February 2016

• 17:2517:25, 1 February 2016 diff hist +76 Rep:Mod:TSjs4913 →Optimising the Reactants and Products
• 17:2217:22, 1 February 2016 diff hist 0 N File:Run 2 optimisedjs.png No edit summary current
• 17:2217:22, 1 February 2016 diff hist +944 Rep:Mod:TSjs4913 →Optimising the Reactants and Products
• 17:0717:07, 1 February 2016 diff hist 0 N File:Run 1 optimisedjs.png No edit summary current
• 17:0417:04, 1 February 2016 diff hist +1,244 N Rep:Mod:TSjs4913 Created page with "= Introduction = = The Cope Rearrangement Tutorial = == Background == == Optimising the Reactants and Products == === Optimising the "Anti" conformation of 1,5-hexadiene =..."

22 October 2015

• 21:4321:43, 22 October 2015 diff hist −33 Rep:Mod:js4913compyr3 →VACF plot
• 21:4221:42, 22 October 2015 diff hist +40 Rep:Mod:js4913compyr3 →Mean Squared Displacement
• 21:4121:41, 22 October 2015 diff hist +6 Rep:Mod:js4913compyr3 →Mean Squared Displacement
• 21:3821:38, 22 October 2015 diff hist +45 Rep:Mod:js4913compyr3 →Calculating heat capacities using statistical physics
• 21:2821:28, 22 October 2015 diff hist −5 Rep:Mod:js4913compyr3 →Verlet & Velocity-Verlet Algorithm
• 21:2721:27, 22 October 2015 diff hist −5 Rep:Mod:js4913compyr3 →Introduction to molecular dynamics simulation
• 21:2221:22, 22 October 2015 diff hist +285 Rep:Mod:js4913compyr3 →Estimates for D for 1,000,000 atom systems
• 21:2021:20, 22 October 2015 diff hist +246 Rep:Mod:js4913compyr3 →Estimates for D for 1,000,000 atom systems
• 21:1521:15, 22 October 2015 diff hist +310 Rep:Mod:js4913compyr3 →Velocity Autocorrelation Function
• 21:1421:14, 22 October 2015 diff hist 0 N File:Gas1000000VACFrunning.png No edit summary current
• 21:1421:14, 22 October 2015 diff hist 0 N File:LiquidVACF1000000running.png No edit summary current
• 21:1321:13, 22 October 2015 diff hist 0 N File:SolidVACF1000000running.png No edit summary current
• 21:0121:01, 22 October 2015 diff hist +3 Rep:Mod:js4913compyr3 →Estimates for D for 1,000,000 atom systems
• 21:0121:01, 22 October 2015 diff hist +2 Rep:Mod:js4913compyr3 →Estimates of D
• 21:0021:00, 22 October 2015 diff hist +424 Rep:Mod:js4913compyr3 →Velocity Autocorrelation Function
• 20:5020:50, 22 October 2015 diff hist +292 Rep:Mod:js4913compyr3 →Estimates of D
• 20:4720:47, 22 October 2015 diff hist +217 Rep:Mod:js4913compyr3 →Estimates of D
• 20:4620:46, 22 October 2015 diff hist 0 N File:Gas running intergral.png No edit summary current
• 20:4520:45, 22 October 2015 diff hist 0 N File:Liquid running intergral.png No edit summary current
• 20:4520:45, 22 October 2015 diff hist 0 N File:Solid running intergral.png No edit summary current