User contributions for Jx3515
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4 May 2017
- 16:5016:50, 4 May 2017 diff hist +602 MRD:jx3515 →Exercise 1 Tag: Visual edit
- 16:2116:21, 4 May 2017 diff hist +502 MRD:jx3515 →Comment on how the mep and the trajectory you just calculated differ. Tag: Visual edit
- 14:5814:58, 4 May 2017 diff hist +1 MRD:jx3515 →Report your best estimate of the transition state position (rts) and explain your reasoning illustrating it with a “Internuclear Distances vs Time” screenshot for a relevant trajectory. Tag: Visual edit
- 14:5514:55, 4 May 2017 diff hist +1,221 MRD:jx3515 →Exercise 1 Tag: Visual edit: Switched
- 14:5414:54, 4 May 2017 diff hist 0 N File:MRD-jx3515-Ts -dynamic.PNG No edit summary current
- 14:4914:49, 4 May 2017 diff hist 0 N File:MRD-jx3515-Ts-mep.PNG No edit summary current
- 14:0414:04, 4 May 2017 diff hist 0 N File:MRD-jx3515-TSposition.png No edit summary current
- 13:2913:29, 4 May 2017 diff hist +196 MRD:jx3515 →What value does the total gradient of the potential energy surface have at a minimum and at a transition structure? Briefly explain how minima and transition structures can be distinguished using the curvature of the potential energy surface. Tag: Visual edit
- 13:2213:22, 4 May 2017 diff hist +382 N MRD:jx3515 Created page with " == Exercise 1 == === What value does the total gradient of the potential energy surface have at a minimum and at a transition structure? Briefly explain how minima and transi..."
18 March 2016
- 17:1317:13, 18 March 2016 diff hist +30 Jxpage1 No edit summary current
- 17:0117:01, 18 March 2016 diff hist +437 Jxpage1 No edit summary
- 16:3216:32, 18 March 2016 diff hist −1 Jxpage1 →P4 Molecule Investigation
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- 16:2216:22, 18 March 2016 diff hist +5 Jxpage1 →Molecular Orbitals
- 16:2116:21, 18 March 2016 diff hist +3 Jxpage1 →Molecular Orbitals
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- 13:4513:45, 18 March 2016 diff hist +12 Jxpage1 →Vibration Analysis
- 13:4413:44, 18 March 2016 diff hist +24 Jxpage1 →Vibration Analysis
17 March 2016
- 16:4016:40, 17 March 2016 diff hist +187 Jxpage1 No edit summary
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