User contributions for Kl1316
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24 May 2018
- 14:2214:22, 24 May 2018 diff hist −24 MRD:01208568 →H + H2 reaction dynamics
- 14:1914:19, 24 May 2018 diff hist +1 MRD:01208568 /* What value do the different components of the gradient of the potential energy surface have at a minimum transition structure? Briefly explain how minima and transition structures can distinguished using the curvature of the potential energy surfac...
- 14:1814:18, 24 May 2018 diff hist +464 MRD:01208568 →Reporting the best estimate of the transition state position (rts) with the explanation
- 14:1214:12, 24 May 2018 diff hist +56 MRD:01208568 →Reporting the best estimate of the transition state position (rts) with the explanation
- 14:1214:12, 24 May 2018 diff hist 0 N File:Internucleardistancevstimeplot0.93angstroms01208568.png No edit summary current
- 14:1214:12, 24 May 2018 diff hist +58 MRD:01208568 →Reporting the best estimate of the transition state position (rts) with the explanation
- 14:1214:12, 24 May 2018 diff hist 0 N File:Internucleardistancevstimeplot0.9078angstroms01208568.png No edit summary current
- 14:1014:10, 24 May 2018 diff hist +325 MRD:01208568 →Reporting the best estimate of the transition state position (rts) with the explanation
- 14:0614:06, 24 May 2018 diff hist +132 MRD:01208568 →Reporting the best estimate of the transition state position (rts) with the explanation
- 14:0514:05, 24 May 2018 diff hist +43 MRD:01208568 →Reporting the best estimate of the transition state position (rts) with the explanation
- 14:0414:04, 24 May 2018 diff hist 0 N File:Internucleardistancevstimeplot01208568.png No edit summary current
- 14:0414:04, 24 May 2018 diff hist +619 MRD:01208568 →Reporting the best estimate of the transition state position (rts) with the explanation
- 13:5713:57, 24 May 2018 diff hist +946 MRD:01208568 /* What value do the different components of the gradient of the potential energy surface have at a minimum transition structure? Briefly explain how minima and transition structures can distinguished using the curvature of the potential energy surface.
- 13:4413:44, 24 May 2018 diff hist +555 MRD:01208568 /* What value do the different components of the gradient of the potential energy surface have at a minimum transition structure? Briefly explain how minima and transition structures can distinguished using the curvature of the potential energy surfac...
- 13:4013:40, 24 May 2018 diff hist +26 MRD:01208568 /* What value do the different components of the gradient of the potential energy surface have at a minimum transition structure? Briefly explain how minima and transition structures can distinguished using the curvature of the potential energy surfac...
- 13:3813:38, 24 May 2018 diff hist +560 MRD:01208568 /* What value do the different components of the gradient of the potential energy surface have at a minimum transition structure? Briefly explain how minima and transition structures can distinguished using the curvature of the potential energy surfac...
- 13:3213:32, 24 May 2018 diff hist −3 MRD:01208568 /* What value do the different components of the gradient of the potential energy surface have at a minimum transition structure? Briefly explain how minima and transition structures can distinguished using the curvature of the potential energy surfac...
- 13:3113:31, 24 May 2018 diff hist +173 MRD:01208568 /* What value do the different components of the gradient of the potential energy surface have at a minimum transition structure? Briefly explain how minima and transition structures can distinguished using the curvature of the potential energy surfac...
- 13:2813:28, 24 May 2018 diff hist 0 N File:Surface plot showing the minimum of saddle point 01208568.png No edit summary current
22 May 2018
- 14:2614:26, 22 May 2018 diff hist +36 MRD:01208568 /* What value do the different components of the gradient of the potential energy surface have at a minimum transition structure? Briefly explain how minima and transition structures can distinguished using the curvature of the potential energy surfac...
- 14:2214:22, 22 May 2018 diff hist 0 N File:Minimum saddle point 01208568.png No edit summary current
- 14:1714:17, 22 May 2018 diff hist +131 MRD:01208568 /* What value do the different components of the gradient of the potential energy surface have at a minimum transition structure? Briefly explain how minima and transition structures can distinguished using the curvature of the potential energy surfac...
- 14:0714:07, 22 May 2018 diff hist 0 N File:Potential energy surface showing maximum 01208568.png No edit summary current
- 14:0614:06, 22 May 2018 diff hist +133 MRD:01208568 /* What value do the different components of the gradient of the potential energy surface have at a minimum transition structure? Briefly explain how minima and transition structures can distinguished using the curvature of the potential energy surfac...
- 13:5513:55, 22 May 2018 diff hist +11 MRD:01208568 /* What value do the different components of the gradient of the potential energy surface have at a minimum transition structure? Briefly explain how minima and transition structures can distinguished using the curvature of the potential energy surfac...
- 13:5113:51, 22 May 2018 diff hist +60 MRD:01208568 /* What value do the different components of the gradient of the potential energy surface have at a minimum transition structure? Briefly explain how minima and transition structures can distinguished using the curvature of the potential energy surfac...
- 13:5013:50, 22 May 2018 diff hist 0 N File:H+H2 potential energy trajectory plot 01208568.png No edit summary current
- 13:4213:42, 22 May 2018 diff hist +72 MRD:01208568 /* What value do the different components of the gradient of the potential energy surface have at a minimum transition structure? Briefly explain how minima and transition structures can distinguished using the curvature of the potential energy surfac...
- 13:4113:41, 22 May 2018 diff hist +266 MRD:01208568 No edit summary
- 13:3813:38, 22 May 2018 diff hist +49 N MRD:01208568 Created page with "==<b> H + H<sub>2</sub> reaction dynamics </b> =="
17 March 2017
- 14:0814:08, 17 March 2017 diff hist −11 Rep:Mod:KL No edit summary
- 13:5713:57, 17 March 2017 diff hist −7 Rep:Mod:KL No edit summary
- 13:5613:56, 17 March 2017 diff hist +25 Rep:Mod:KL No edit summary
- 13:5413:54, 17 March 2017 diff hist +23 Rep:Mod:KL No edit summary
- 13:5413:54, 17 March 2017 diff hist +10 Rep:Mod:KL No edit summary
- 13:5313:53, 17 March 2017 diff hist +2 Rep:Mod:KL No edit summary
- 13:5313:53, 17 March 2017 diff hist 0 Rep:Mod:KL No edit summary
- 13:5213:52, 17 March 2017 diff hist +13 Rep:Mod:KL No edit summary
- 13:5113:51, 17 March 2017 diff hist +24 Rep:Mod:KL No edit summary
- 13:5113:51, 17 March 2017 diff hist +17 Rep:Mod:KL No edit summary
- 13:4913:49, 17 March 2017 diff hist +39 Rep:Mod:KL No edit summary
- 12:0512:05, 17 March 2017 diff hist −2 Rep:Mod:KL →Charge Distributions
- 12:0512:05, 17 March 2017 diff hist +125 Rep:Mod:KL →Reactivity
- 12:0312:03, 17 March 2017 diff hist +2 Rep:Mod:KL →Reactivity
- 12:0312:03, 17 March 2017 diff hist +2 Rep:Mod:KL →Charge Distributions
- 11:5811:58, 17 March 2017 diff hist +273 Rep:Mod:KL →ClF3
- 11:5311:53, 17 March 2017 diff hist +1 Rep:Mod:KL →Reactivity
- 11:5211:52, 17 March 2017 diff hist +171 Rep:Mod:KL →Reactivity
- 11:5111:51, 17 March 2017 diff hist +1 Rep:Mod:KL →Reactivity
- 11:5011:50, 17 March 2017 diff hist +2 Rep:Mod:KL No edit summary