User contributions for Jh3416

7 May 2019

• 12:5112:51, 7 May 2019 diff hist +178 N IO:jh3416 Created page with "==Optimising BH3== File typeː Calculation typeː Calculation Methodː Basis Setː Final Energy (au)ː Gradientː Dipole Momentː Point Groupː Calculation Durationː"

3 May 2019

• 16:0016:00, 3 May 2019 diff hist −209 MRD:jh3416wiki →H-F-H System
• 15:5915:59, 3 May 2019 diff hist +28 MRD:jh3416wiki →H-F-H System
• 15:4615:46, 3 May 2019 diff hist +7 MRD:jh3416wiki →H-F-H System
• 15:4615:46, 3 May 2019 diff hist +1 MRD:jh3416wiki →H-F-H System
• 15:4615:46, 3 May 2019 diff hist −9 MRD:jh3416wiki →H-F-H System
• 15:4215:42, 3 May 2019 diff hist +190 MRD:jh3416wiki →H-F-H System
• 15:0015:00, 3 May 2019 diff hist +181 MRD:jh3416wiki No edit summary
• 14:1814:18, 3 May 2019 diff hist −4 MRD:jh3416wiki /* Identify a set of initial conditions that results in a reactive trajectory for the F + H2, and look at the “Animation” and “Momenta vs Time”. In light of the fact that energy is conserved, discuss the mechanism of release of the reaction ene...
• 14:1814:18, 3 May 2019 diff hist +1 MRD:jh3416wiki →H-F-H System
• 14:1714:17, 3 May 2019 diff hist +4 MRD:jh3416wiki →H-F-H System
• 14:1714:17, 3 May 2019 diff hist +2 MRD:jh3416wiki /* Identify a set of initial conditions that results in a reactive trajectory for the F + H2, and look at the “Animation” and “Momenta vs Time”. In light of the fact that energy is conserved, discuss the mechanism of release of the reaction ene...
• 14:1714:17, 3 May 2019 diff hist +638 MRD:jh3416wiki →H-F-H System
• 14:1014:10, 3 May 2019 diff hist +1,144 MRD:jh3416wiki →H-F-H System
• 13:3813:38, 3 May 2019 diff hist +733 MRD:jh3416wiki →H-F-H System
• 13:3613:36, 3 May 2019 diff hist +12 N File:FHFSurfacePlot2jh3416.png Surface Plot current
• 13:3513:35, 3 May 2019 diff hist +12 N File:FHFSurfacePlot1jh3416.png Surface Plot current
• 13:3113:31, 3 May 2019 diff hist +24 MRD:jh3416wiki No edit summary
• 13:2013:20, 3 May 2019 diff hist +15 N File:Momentavtimejh3416fhf3.png Momenta Vs Time current

2 May 2019

• 18:3618:36, 2 May 2019 diff hist −1 MRD:jh3416wiki Internuclear Distance vs Time; r = 0.91
• 18:3518:35, 2 May 2019 diff hist −1 MRD:jh3416wiki →Identifying the Transition State
• 18:3218:32, 2 May 2019 diff hist +4 MRD:jh3416wiki →MEP vs Dynamics Trajectory
• 18:3218:32, 2 May 2019 diff hist 0 File:MOMENTAAFTERCALCJH3416.png Jh3416 uploaded a new version of File:MOMENTAAFTERCALCJH3416.png current
• 18:3218:32, 2 May 2019 diff hist +905 MRD:jh3416wiki No edit summary
• 18:2318:23, 2 May 2019 diff hist 0 N File:MOMENTAAFTERCALCJH3416.png No edit summary
• 18:2318:23, 2 May 2019 diff hist 0 N File:IDTAFTERCALCJH3416.png No edit summary current
• 18:1018:10, 2 May 2019 diff hist +100 MRD:jh3416wiki →Description of Trajectory Dynamics
• 17:5517:55, 2 May 2019 diff hist +578 MRD:jh3416wiki →Predictions from Transition State Theorʏ
• 17:3717:37, 2 May 2019 diff hist +427 MRD:jh3416wiki →Description of Trajectory Dynamics
• 17:0817:08, 2 May 2019 diff hist +6 MRD:jh3416wiki →MEP vs Dynamics Trajectory
• 17:0717:07, 2 May 2019 diff hist +11 MRD:jh3416wiki →MEP vs Dynamics
• 17:0617:06, 2 May 2019 diff hist +173 MRD:jh3416wiki →Description of Trajectory Dynamics
• 16:5916:59, 2 May 2019 diff hist −1 MRD:jh3416wiki →MEP vs Dynamics
• 16:5816:58, 2 May 2019 diff hist 0 File:MEPdatajh3416.png Jh3416 uploaded a new version of File:MEPdatajh3416.png current
• 16:5716:57, 2 May 2019 diff hist 0 MRD:jh3416wiki →MEP vs Dynamics
• 16:5616:56, 2 May 2019 diff hist +1 MRD:jh3416wiki →MEP vs Dynamics
• 16:5616:56, 2 May 2019 diff hist +6 MRD:jh3416wiki →MEP vs Dynamics
• 16:5516:55, 2 May 2019 diff hist −4 MRD:jh3416wiki →MEP vs Dynamics
• 16:5516:55, 2 May 2019 diff hist 0 N File:MEPdatajh3416.png No edit summary
• 16:5516:55, 2 May 2019 diff hist +56 MRD:jh3416wiki →MEP vs Dynamics
• 16:5416:54, 2 May 2019 diff hist −1 MRD:jh3416wiki No edit summary
• 16:5316:53, 2 May 2019 diff hist +998 MRD:jh3416wiki No edit summary
• 15:1015:10, 2 May 2019 diff hist 0 N File:MomentaMEPjh3416.png No edit summary current
• 15:0815:08, 2 May 2019 diff hist 0 N File:MEPIDTjh3416.png No edit summary current
• 15:0715:07, 2 May 2019 diff hist +66 MRD:jh3416wiki →MEP vs Dynamics
• 14:4214:42, 2 May 2019 diff hist +512 MRD:jh3416wiki →Description of Trajectory Dynamics
• 14:2814:28, 2 May 2019 diff hist +1 MRD:jh3416wiki →MEP vs Dynamics
• 14:2714:27, 2 May 2019 diff hist +132 MRD:jh3416wiki →MEP vs Dynamics
• 14:2314:23, 2 May 2019 diff hist 0 N File:IDTDynamicsjh3416.png No edit summary current
• 14:2214:22, 2 May 2019 diff hist 0 N File:SurfacePlotMEPjh3416.png No edit summary current