User contributions for Kbg15
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25 May 2017
- 23:0023:00, 25 May 2017 diff hist +1 MRD:kbg1501068978 →Discuss how the distribution of energy between different modes (translation and vibration) affect the efficiency of the reaction, and how this is influenced by the position of the transition state.
- 22:5922:59, 25 May 2017 diff hist +118 MRD:kbg1501068978 →Molecular Reaction Dynamics: Applications to Triatomic systems
- 22:5922:59, 25 May 2017 diff hist 0 N File:Low p(HH)-kbg15.png No edit summary current
- 22:5822:58, 25 May 2017 diff hist +1,204 MRD:kbg1501068978 →Molecular Reaction Dynamics: Applications to Triatomic systems Tag: Visual edit
- 22:5722:57, 25 May 2017 diff hist 0 N File:High p(HH)-kbg15.png No edit summary current
- 22:2922:29, 25 May 2017 diff hist +185 MRD:kbg1501068978 →Molecular Reaction Dynamics: Applications to Triatomic systems
- 22:2822:28, 25 May 2017 diff hist 0 N File:Reactive internuclear-kbg15.png No edit summary current
- 22:2822:28, 25 May 2017 diff hist 0 N File:Reactive surface-kbg15.png No edit summary current
- 22:2722:27, 25 May 2017 diff hist +339 MRD:kbg1501068978 →Molecular Reaction Dynamics: Applications to Triatomic systems Tag: Visual edit
- 22:1522:15, 25 May 2017 diff hist +1,341 MRD:kbg1501068978 →Locate the approximate position of the transition state. Tag: Visual edit
- 21:4521:45, 25 May 2017 diff hist +92 MRD:kbg1501068978 No edit summary
- 21:4421:44, 25 May 2017 diff hist +367 MRD:kbg1501068978 →Classify the F + H2 and H + HF reactions according to their energetics (endothermic or exothermic). How does this relate to the bond strength of the chemical species involved? Tag: Visual edit
- 21:4421:44, 25 May 2017 diff hist 0 N File:TS-FHH-kbg15.png No edit summary current
- 21:3521:35, 25 May 2017 diff hist +353 MRD:kbg1501068978 →Molecular Reaction Dynamics: Applications to Triatomic systems Tag: Visual edit
- 21:3221:32, 25 May 2017 diff hist +23 MRD:kbg1501068978 →Part 1: H + H2 system Tag: Visual edit
- 21:3121:31, 25 May 2017 diff hist +250 MRD:kbg1501068978 →H + H2 system Tag: Visual edit
- 21:2521:25, 25 May 2017 diff hist +769 MRD:kbg1501068978 →H + H2 system Tag: Visual edit
- 21:1921:19, 25 May 2017 diff hist −44 MRD:kbg1501068978 →H + H2 system
- 21:1921:19, 25 May 2017 diff hist +6 MRD:kbg1501068978 →H + H2 system
- 21:1821:18, 25 May 2017 diff hist −17 MRD:kbg1501068978 →H + H2 system
- 21:1721:17, 25 May 2017 diff hist +230 MRD:kbg1501068978 →H + H2 system
- 21:1621:16, 25 May 2017 diff hist +368 MRD:kbg1501068978 No edit summary Tag: Visual edit
- 21:1421:14, 25 May 2017 diff hist 0 N File:Condition5-kbg15.png No edit summary current
- 21:1421:14, 25 May 2017 diff hist 0 N File:Condition4-kbg15.png No edit summary current
- 21:1321:13, 25 May 2017 diff hist 0 N File:Condition3-kbg15.png No edit summary current
- 21:1321:13, 25 May 2017 diff hist 0 N File:Condition2-kbg15.png No edit summary current
- 21:1321:13, 25 May 2017 diff hist 0 N File:Condition1-kbg15.png No edit summary current
- 19:3819:38, 25 May 2017 diff hist +712 MRD:kbg1501068978 →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
- 19:1519:15, 25 May 2017 diff hist +7 MRD:kbg1501068978 →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.
- 19:1519:15, 25 May 2017 diff hist +7 MRD:kbg1501068978 →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.
- 19:1419:14, 25 May 2017 diff hist +46 MRD:kbg1501068978 →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.
- 19:0919:09, 25 May 2017 diff hist +1 MRD:kbg1501068978 →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
- 19:0819:08, 25 May 2017 diff hist 0 MRD:kbg1501068978 No edit summary
- 19:0819:08, 25 May 2017 diff hist +6 MRD:kbg1501068978 →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.
- 19:0719:07, 25 May 2017 diff hist +4 MRD:kbg1501068978 →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.
- 19:0719:07, 25 May 2017 diff hist −5 MRD:kbg1501068978 →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.
- 19:0619:06, 25 May 2017 diff hist −5 MRD:kbg1501068978 →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.
- 19:0619:06, 25 May 2017 diff hist 0 N File:RTSkbg15.png No edit summary current
- 19:0419:04, 25 May 2017 diff hist +28 MRD:kbg1501068978 →Molecular Reaction Dynamics: Applications to Triatomic systems Tag: Visual edit
- 19:0219:02, 25 May 2017 diff hist 0 N File:RTS.png No edit summary current
- 19:0119:01, 25 May 2017 diff hist +719 MRD:kbg1501068978 →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
24 May 2017
23 May 2017
- 15:4015:40, 23 May 2017 diff hist +87 N MRD:kbg1501068978 Created page with "==Molecular Reaction Dynamics: Applications to Triatomic systems== ===H + H2 system==="
19 February 2016
- 15:0615:06, 19 February 2016 diff hist −77 ModelLab2 →Molecular orbitals of Ethanal current
- 14:5814:58, 19 February 2016 diff hist +547 ModelLab2 No edit summary
- 14:5414:54, 19 February 2016 diff hist 0 N File:LUMO of ethanal.png No edit summary current
- 14:5014:50, 19 February 2016 diff hist +37 ModelLab2 →Independence
- 14:4914:49, 19 February 2016 diff hist +328 ModelLab2 →Atomic charges
- 14:4414:44, 19 February 2016 diff hist +1,510 ModelLab2 No edit summary
- 14:4314:43, 19 February 2016 diff hist 0 N File:Ethanal Charge kbg15.png No edit summary current