User contributions for Xj1213

29 February 2016

• 20:1020:10, 29 February 2016 diff hist 0 Rep:MOD:xj1213TS →Optimizing the "Chair" and "Boat" Transition Structures
• 20:0820:08, 29 February 2016 diff hist +635 Rep:MOD:xj1213TS →Optimizing the "Chair" and "Boat" Transition Structures
• 20:0620:06, 29 February 2016 diff hist 0 N File:XJ CHAIR TS GUESS MIN.LOG No edit summary current
• 19:5719:57, 29 February 2016 diff hist 0 N File:Chair ts guess min.mol No edit summary current
• 19:5519:55, 29 February 2016 diff hist +229 Rep:MOD:xj1213TS →The Cope Rearrangement Tutorial
• 19:5319:53, 29 February 2016 diff hist +182 Rep:MOD:xj1213TS →Thermochemitry
• 19:0019:00, 29 February 2016 diff hist +374 Rep:MOD:xj1213TS →Optimizing the Reactants and Products
• 18:1818:18, 29 February 2016 diff hist +702 Rep:MOD:xj1213TS →Different
• 17:1117:11, 29 February 2016 diff hist +1,372 Rep:MOD:xj1213TS →Optimizing the Reactants and Products
• 15:3915:39, 29 February 2016 diff hist +906 N Rep:MOD:xj1213TS Created page with " == The Cope Rearrangement Tutorial == === Optimizing the Reactants and Products === {| class="wikitable" !Conformer !Structure !HF/3-21G Calculation !Energy / hartrees !Po..."

18 December 2015

• 01:2001:20, 18 December 2015 diff hist +275 Rep:Mod:xj1213 →Task 19
• 00:5200:52, 18 December 2015 diff hist −1 Rep:Mod:xj1213 →Thermostats and Barostats
• 00:4900:49, 18 December 2015 diff hist −210 Rep:Mod:xj1213 →Task 15

17 December 2015

• 20:5320:53, 17 December 2015 diff hist +450 Rep:Mod:xj1213 →Task 19
• 16:2116:21, 17 December 2015 diff hist +1,018 Rep:Mod:xj1213 →Task 21
• 15:5815:58, 17 December 2015 diff hist +982 Rep:Mod:xj1213 →Task 22
• 15:3815:38, 17 December 2015 diff hist +160 Rep:Mod:xj1213 →Task 20
• 15:3315:33, 17 December 2015 diff hist +608 Rep:Mod:xj1213 →Task 22
• 14:4314:43, 17 December 2015 diff hist +90 Rep:Mod:xj1213 →Task 21
• 14:1914:19, 17 December 2015 diff hist 0 Rep:Mod:xj1213 →Heat Capacity Calculation
• 14:1414:14, 17 December 2015 diff hist +36 m Rep:Mod:xj1213 →Task 18
• 14:1014:10, 17 December 2015 diff hist +730 Rep:Mod:xj1213 →Task 22

16 December 2015

• 19:0319:03, 16 December 2015 diff hist +141 Rep:Mod:xj1213 →Task 18
• 18:5518:55, 16 December 2015 diff hist +1 m Rep:Mod:xj1213 →Task 18
• 18:4918:49, 16 December 2015 diff hist +1 Rep:Mod:xj1213 →Task 19
• 18:4418:44, 16 December 2015 diff hist +1 m Rep:Mod:xj1213 →Task 19
• 17:5017:50, 16 December 2015 diff hist +2,579 Rep:Mod:xj1213 →Velocity Autocorrelation Function
• 15:2715:27, 16 December 2015 diff hist +67 Rep:Mod:xj1213 →Task 20
• 15:2215:22, 16 December 2015 diff hist 0 Rep:Mod:xj1213 →Task 20
• 14:4214:42, 16 December 2015 diff hist +1,336 Rep:Mod:xj1213 →Task 19
• 13:3113:31, 16 December 2015 diff hist 0 Rep:Mod:xj1213 →Task 20
• 12:2112:21, 16 December 2015 diff hist +2,792 Rep:Mod:xj1213 →Task 20

15 December 2015

• 18:0518:05, 15 December 2015 diff hist +794 Rep:Mod:xj1213 →Task 20
• 16:0416:04, 15 December 2015 diff hist +107 Rep:Mod:xj1213 →Task 19
• 15:5815:58, 15 December 2015 diff hist +342 Rep:Mod:xj1213 →Task 19
• 15:2615:26, 15 December 2015 diff hist +2,610 Rep:Mod:xj1213 →Task 19

14 December 2015

• 22:1022:10, 14 December 2015 diff hist +1 Rep:Mod:xj1213 →alculating g(r) in VMD
• 17:4117:41, 14 December 2015 diff hist +376 Rep:Mod:xj1213 →Task 19
• 16:0916:09, 14 December 2015 diff hist +660 Rep:Mod:xj1213 →STRUCTURAL PROPERTIES AND THE RADIAL DISTRIBUTION FUNCTION
• 16:0416:04, 14 December 2015 diff hist −33 Rep:Mod:xj1213 →Heat Capacity Calculation
• 15:5815:58, 14 December 2015 diff hist +1,006 Rep:Mod:xj1213 →Task 18
• 15:0015:00, 14 December 2015 diff hist +638 Rep:Mod:xj1213 →Task 18
• 14:4614:46, 14 December 2015 diff hist −6 Rep:Mod:xj1213 →Task 17
• 14:4214:42, 14 December 2015 diff hist +2,553 Rep:Mod:xj1213 →Heat Capacity Calculation
• 13:0613:06, 14 December 2015 diff hist +41 Rep:Mod:xj1213 →Task 17

11 December 2015

• 17:3517:35, 11 December 2015 diff hist +4 m Rep:Mod:xj1213 →Task 16
• 16:0616:06, 11 December 2015 diff hist +92 Rep:Mod:xj1213 →Plotting the Equations of State
• 16:0016:00, 11 December 2015 diff hist −2 m Rep:Mod:xj1213 →REFERENCE
• 15:5815:58, 11 December 2015 diff hist +1 m Rep:Mod:xj1213 No edit summary
• 15:5615:56, 11 December 2015 diff hist +33 Rep:Mod:xj1213 →THEORY