User contributions for Hk3918

12 May 2020

• 19:2719:27, 12 May 2020 diff hist −168 MRD:01524831.molecularreactiondynamics →Report your best estimate of the transition state position (rts) and explain your reasoning illustrating it with a “Internuclear Distances vs Time” plot for a relevant trajectory.
• 19:1519:15, 12 May 2020 diff hist +24 MRD:01524831.molecularreactiondynamics →Exercise 1: H + H2 system
• 19:1219:12, 12 May 2020 diff hist +148 MRD:01524831.molecularreactiondynamics →Exercise 1: H + H2 system Tag: Visual edit
• 19:1019:10, 12 May 2020 diff hist 0 MRD:01524831.molecularreactiondynamics →Report your best estimate of the transition state position (rts) and explain your reasoning illustrating it with a “Internuclear Distances vs Time” plot for a relevant trajectory.
• 19:0919:09, 12 May 2020 diff hist +10 MRD:01524831.molecularreactiondynamics →Report your best estimate of the transition state position (rts) and explain your reasoning illustrating it with a “Internuclear Distances vs Time” plot for a relevant trajectory.
• 19:0819:08, 12 May 2020 diff hist +231 MRD:01524831.molecularreactiondynamics No edit summary
• 19:0319:03, 12 May 2020 diff hist +636 MRD:01524831.molecularreactiondynamics →Exercise 1: H + H2 system Tag: Visual edit
• 18:3818:38, 12 May 2020 diff hist +179 MRD:01524831.molecularreactiondynamics →On a potential energy surface diagram, how is the transition state mathematically defined? How can the transition state be identified, and how can it be distinguished from a local minimum of the potential energy surface? Tag: Visual edit
• 18:3518:35, 12 May 2020 diff hist +10 MRD:01524831.molecularreactiondynamics →On a potential energy surface diagram, how is the transition state mathematically defined? How can the transition state be identified, and how can it be distinguished from a local minimum of the potential energy surface?
• 18:3518:35, 12 May 2020 diff hist +4 MRD:01524831.molecularreactiondynamics →On a potential energy surface diagram, how is the transition state mathematically defined? How can the transition state be identified, and how can it be distinguished from a local minimum of the potential energy surface? Tag: Visual edit
• 18:3318:33, 12 May 2020 diff hist +2 MRD:01524831.molecularreactiondynamics →On a potential energy surface diagram, how is the transition state mathematically defined? How can the transition state be identified, and how can it be distinguished from a local minimum of the potential energy surface?
• 18:3318:33, 12 May 2020 diff hist +105 MRD:01524831.molecularreactiondynamics →Exercise 1: H + H2 system
• 18:3018:30, 12 May 2020 diff hist −86 MRD:01524831.molecularreactiondynamics →On a potential energy surface diagram, how is the transition state mathematically defined? How can the transition state be identified, and how can it be distinguished from a local minimum of the potential energy surface? Tag: Visual edit
• 18:2818:28, 12 May 2020 diff hist +739 MRD:01524831.molecularreactiondynamics →Exercise 1: H + H2 system Tag: Visual edit
• 18:1918:19, 12 May 2020 diff hist +42 MRD:01524831.molecularreactiondynamics No edit summary Tag: Visual edit

11 May 2020

• 20:2820:28, 11 May 2020 diff hist −27 MRD:01524831.molecularreactiondynamics Blanked the page
• 20:2520:25, 11 May 2020 diff hist +27 N MRD:01524831.molecularreactiondynamics Created page with "Molecular Reaction dynamics" Tag: Visual edit: Switched

22 March 2019

• 16:2516:25, 22 March 2019 diff hist +4 Rep:Mod:dutchx22 →MOs for methane
• 16:2416:24, 22 March 2019 diff hist +7 Rep:Mod:dutchx22 →CH4
• 16:2416:24, 22 March 2019 diff hist 0 Rep:Mod:dutchx22 →Charges
• 16:2416:24, 22 March 2019 diff hist 0 Rep:Mod:dutchx22 →Charges
• 16:2416:24, 22 March 2019 diff hist 0 Rep:Mod:dutchx22 →Charges
• 16:2316:23, 22 March 2019 diff hist 0 Rep:Mod:dutchx22 →MOs for methane
• 16:2316:23, 22 March 2019 diff hist −31 Rep:Mod:dutchx22 →MOs for methane
• 16:2216:22, 22 March 2019 diff hist +10 Rep:Mod:dutchx22 →Charges
• 16:2116:21, 22 March 2019 diff hist +225 Rep:Mod:dutchx22 →Charges
• 16:1516:15, 22 March 2019 diff hist +1 Rep:Mod:dutchx22 →Charges
• 16:1416:14, 22 March 2019 diff hist +5 Rep:Mod:dutchx22 →Charges
• 16:1316:13, 22 March 2019 diff hist +18 Rep:Mod:dutchx22 →Wavenumber and intensity
• 16:1316:13, 22 March 2019 diff hist +48 Rep:Mod:dutchx22 →CH4
• 16:1216:12, 22 March 2019 diff hist 0 N File:Hk3918 displayvibrations ch4.png No edit summary current
• 16:1216:12, 22 March 2019 diff hist +157 Rep:Mod:dutchx22 →CH4
• 16:0516:05, 22 March 2019 diff hist +5 Rep:Mod:dutchx22 →Charges
• 16:0416:04, 22 March 2019 diff hist +109 Rep:Mod:dutchx22 →Charges
• 16:0216:02, 22 March 2019 diff hist +109 Rep:Mod:dutchx22 →Charges
• 16:0016:00, 22 March 2019 diff hist +797 Rep:Mod:dutchx22 →N2
• 15:5315:53, 22 March 2019 diff hist −1 Rep:Mod:dutchx22 →Vibrations
• 15:5315:53, 22 March 2019 diff hist +36 Rep:Mod:dutchx22 →Vibrations
• 15:5215:52, 22 March 2019 diff hist +709 Rep:Mod:dutchx22 →H2
• 15:4415:44, 22 March 2019 diff hist +1,145 Rep:Mod:dutchx22 →NH3
• 15:4215:42, 22 March 2019 diff hist +227 Rep:Mod:dutchx22 →NH3
• 15:2415:24, 22 March 2019 diff hist +1,137 Rep:Mod:dutchx22 →N2
• 15:0215:02, 22 March 2019 diff hist +1,131 Rep:Mod:dutchx22 →CH4
• 14:2214:22, 22 March 2019 diff hist −268 Rep:Mod:dutchx22 →CH4
• 14:1714:17, 22 March 2019 diff hist +290 Rep:Mod:dutchx22 →CH4
• 14:1414:14, 22 March 2019 diff hist +4 Rep:Mod:dutchx22 →CH4
• 14:1314:13, 22 March 2019 diff hist +50 Rep:Mod:dutchx22 No edit summary
• 14:1014:10, 22 March 2019 diff hist +30 Rep:Mod:dutchx22 No edit summary
• 14:0714:07, 22 March 2019 diff hist +141 Rep:Mod:dutchx22 No edit summary
• 14:0714:07, 22 March 2019 diff hist 0 N File:Hk3918 ch4 MO5.png No edit summary current