User contributions for Az916

2 May 2018

• 10:2110:21, 2 May 2018 diff hist 0 N File:Fig16az916.png No edit summary current
• 09:0109:01, 2 May 2018 diff hist +68 MRD:az916 /* 4. Complete the table by adding a column with the total energy, and another column reporting if the trajectory is reactive or unreactive. For each set of initial conditions, provide a plot of the trajectory and a small description for what happens a...
• 08:5908:59, 2 May 2018 diff hist +216 MRD:az916 →9. In light of the fact that energy is conserved, discuss the mechanism of release of the reaction energy. How could this be confirmed experimentally?
• 08:4708:47, 2 May 2018 diff hist +7 MRD:az916 →9. In light of the fact that energy is conserved, discuss the mechanism of release of the reaction energy. How could this be confirmed experimentally?
• 08:4608:46, 2 May 2018 diff hist +1,000 MRD:az916 →8. Report the activation energy for both reactions
• 08:3708:37, 2 May 2018 diff hist 0 N File:Fig15az916.png No edit summary current
• 08:3708:37, 2 May 2018 diff hist 0 N File:Fig14az916.png No edit summary current
• 08:1808:18, 2 May 2018 diff hist 0 MRD:az916 →8. Report the activation energy for both reactions
• 08:1808:18, 2 May 2018 diff hist 0 N File:Fig13az916.png No edit summary current
• 08:1608:16, 2 May 2018 diff hist +617 MRD:az916 →8. Report the activtion energy for both reactions
• 08:0808:08, 2 May 2018 diff hist −4 MRD:az916 →8. Report the activtion energy for both reactions
• 08:0808:08, 2 May 2018 diff hist −2 MRD:az916 →8. Report the activtion energy for both reactions
• 08:0708:07, 2 May 2018 diff hist +3 MRD:az916 →8. Report the activtion energy for both reactions
• 08:0408:04, 2 May 2018 diff hist +528 MRD:az916 →EXERCISE 2: F - H - H system
• 07:5607:56, 2 May 2018 diff hist 0 N File:Fig12az916.png No edit summary current
• 07:5607:56, 2 May 2018 diff hist 0 N File:Fig11az916.png No edit summary current
• 07:5507:55, 2 May 2018 diff hist 0 N File:Fig10az916.png No edit summary current
• 07:5507:55, 2 May 2018 diff hist 0 N File:Fig9az916.png No edit summary current
• 07:5307:53, 2 May 2018 diff hist +287 MRD:az916 →EXERCISE 2: F - H - H system

1 May 2018

• 20:3420:34, 1 May 2018 diff hist +549 MRD:az916 →7. Locate the approximate position of the transition state.
• 20:2620:26, 1 May 2018 diff hist +2,112 MRD:az916 →Molecular Reaction Dynamics
• 20:2520:25, 1 May 2018 diff hist 0 N File:Fig7az916.png No edit summary current
• 20:2520:25, 1 May 2018 diff hist 0 N File:Fig6az916.png No edit summary current
• 19:1819:18, 1 May 2018 diff hist +222 MRD:az916 →Molecular Reaction Dynamics
• 19:1619:16, 1 May 2018 diff hist +11 MRD:az916 /* 4. Complete the table by adding a column with the total energy, and another column reporting if the trajectory is reactive or unreactive. For each set of initial conditions, provide a plot of the trajectory and a small description for what happens a...
• 19:1319:13, 1 May 2018 diff hist +878 MRD:az916 /* 4. Complete the table by adding a column with the total energy, and another column reporting if the trajectory is reactive or unreactive. For each set of initial conditions, provide a plot of the trajectory and a small description for what happens a...
• 18:5818:58, 1 May 2018 diff hist 0 N File:Tab5az916.png No edit summary current
• 18:5818:58, 1 May 2018 diff hist 0 N File:Tab4az916.png No edit summary current
• 18:5818:58, 1 May 2018 diff hist 0 N File:Tab3az916.png No edit summary current
• 18:5818:58, 1 May 2018 diff hist 0 N File:Tab2az916.png No edit summary current
• 18:5718:57, 1 May 2018 diff hist 0 N File:Tab1az916.png No edit summary current
• 18:5718:57, 1 May 2018 diff hist −5 MRD:az916 /* 4. Complete the table by adding a column with the total energy, and another column reporting if the trajectory is reactive or unreactive. For each set of initial conditions, provide a plot of the trajectory and a small description for what happens a...
• 18:5618:56, 1 May 2018 diff hist −1 MRD:az916 /* 4. Complete the table by adding a column with the total energy, and another column reporting if the trajectory is reactive or unreactive. For each set of initial conditions, provide a plot of the trajectory and a small description for what happens a...
• 18:5618:56, 1 May 2018 diff hist +827 MRD:az916 →Molecular Reaction Dynamics
• 18:3818:38, 1 May 2018 diff hist +1 MRD:az916 →3. Comment on how the mep and the trajectory you just calculated [dynamics] differ
• 18:3718:37, 1 May 2018 diff hist +768 MRD:az916 →3. Comment on how the mep and the trajectory you just calculated [dynamics] differ
• 18:2918:29, 1 May 2018 diff hist +97 MRD:az916 →Molecular Reaction Dynamics
• 18:2618:26, 1 May 2018 diff hist +2 MRD:az916 →Molecular Reaction Dynamics
• 18:2518:25, 1 May 2018 diff hist +4 MRD:az916 →Molecular Reaction Dynamics
• 18:2518:25, 1 May 2018 diff hist 0 MRD:az916 /* 1. What value do the different components of the 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...
• 18:2418:24, 1 May 2018 diff hist −10 MRD:az916 /* 1. What value do the different components of the 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...
• 18:2418:24, 1 May 2018 diff hist 0 N File:Fig5az916.png No edit summary current
• 18:2318:23, 1 May 2018 diff hist 0 N File:Fig4az916.png No edit summary current
• 18:2318:23, 1 May 2018 diff hist 0 N File:Fig1az916.png No edit summary current
• 18:2218:22, 1 May 2018 diff hist −4 MRD:az916 /* 1. What value do the different components of the 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...
• 18:2118:21, 1 May 2018 diff hist −2 MRD:az916 /* 1. What value do the different components of the 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...
• 18:2018:20, 1 May 2018 diff hist +50 MRD:az916 →Molecular Reaction Dynamics
• 18:1218:12, 1 May 2018 diff hist 0 MRD:az916 →Molecular Reaction Dynamics
• 17:5117:51, 1 May 2018 diff hist +573 MRD:az916 →Molecular Reaction Dynamics
• 17:2817:28, 1 May 2018 diff hist +11 MRD:az916 →Molecular Reaction Dynamics