User contributions for Em1815
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24 May 2017
- 22:1422:14, 24 May 2017 diff hist 0 N File:Em1815 rxn 4.png No edit summary current
- 22:1422:14, 24 May 2017 diff hist 0 N File:Em1815 rxn 3.png No edit summary current
- 22:1422:14, 24 May 2017 diff hist 0 N File:Em1815 rxn 2.png No edit summary current
- 22:1322:13, 24 May 2017 diff hist 0 N File:Em1815 rxn 1.png No edit summary current
- 15:2015:20, 24 May 2017 diff hist +6 Em1815 Yr2 M R D →Question 4.Complete the table by adding a column reporting if the trajectory is reactive or unreactive. For each set of initial conditions, provide a screenshot of the trajectory and a small description for what happens along the trajectory.
- 15:1915:19, 24 May 2017 diff hist +12 Em1815 Yr2 M R D →Question 4.Complete the table by adding a column reporting if the trajectory is reactive or unreactive. For each set of initial conditions, provide a screenshot of the trajectory and a small description for what happens along the trajectory.
- 15:1915:19, 24 May 2017 diff hist +382 Em1815 Yr2 M R D →Molecular Reaction Dynamics: Applications to Triatomic systems
- 15:1815:18, 24 May 2017 diff hist 0 Em1815 Yr2 M R D →Molecular Reaction Dynamics: Applications to Triatomic systems
- 15:1615:16, 24 May 2017 diff hist +21 Em1815 Yr2 M R D →Molecular Reaction Dynamics: Applications to Triatomic systems
- 14:5314:53, 24 May 2017 diff hist +142 Em1815 Yr2 M R D →Question 3. Comment on how the mep and the trajectory you just calculated differ.
- 14:4114:41, 24 May 2017 diff hist +227 Em1815 Yr2 M R D →Molecular Reaction Dynamics: Applications to Triatomic systems
- 14:3914:39, 24 May 2017 diff hist 0 N File:Em1815 surface dynamic.png No edit summary current
- 14:3914:39, 24 May 2017 diff hist 0 N File:Em1815 ke vs time dynamic.png No edit summary current
- 14:3814:38, 24 May 2017 diff hist 0 N File:Em1815 surface mep.png No edit summary current
- 14:1514:15, 24 May 2017 diff hist 0 N File:Em1815 ke vs time mep.png No edit summary current
- 13:5213:52, 24 May 2017 diff hist +252 Em1815 Yr2 M R D →Molecular Reaction Dynamics: Applications to Triatomic systems
- 13:5013:50, 24 May 2017 diff hist +124 Em1815 Yr2 M R D →Molecular Reaction Dynamics: Applications to Triatomic systems
- 13:4713:47, 24 May 2017 diff hist +536 Em1815 Yr2 M R D →Molecular Reaction Dynamics: Applications to Triatomic systems
- 12:3812:38, 24 May 2017 diff hist +184 Em1815 Yr2 M R D →Molecular Reaction Dynamics: Applications to Triatomic systems
- 12:3012:30, 24 May 2017 diff hist −12 Em1815 Yr2 M R D →Molecular Reaction Dynamics: Applications to Triatomic systems
- 12:3012:30, 24 May 2017 diff hist +1 Em1815 Yr2 M R D →Molecular Reaction Dynamics: Applications to Triatomic systems
- 12:2912:29, 24 May 2017 diff hist +17 Em1815 Yr2 M R D →Molecular Reaction Dynamics: Applications to Triatomic systems
- 12:2812:28, 24 May 2017 diff hist −31 Em1815 Yr2 M R D →Molecular Reaction Dynamics: Applications to Triatomic systems
- 12:2712:27, 24 May 2017 diff hist −51 Em1815 Yr2 M R D →Molecular Reaction Dynamics: Applications to Triatomic systems
- 12:2512:25, 24 May 2017 diff hist −8 Em1815 Yr2 M R D →Molecular Reaction Dynamics: Applications to Triatomic systems
- 12:2412:24, 24 May 2017 diff hist +2 Em1815 Yr2 M R D →Molecular Reaction Dynamics: Applications to Triatomic systems
- 12:2312:23, 24 May 2017 diff hist +8 Em1815 Yr2 M R D →Molecular Reaction Dynamics: Applications to Triatomic systems
- 12:2212:22, 24 May 2017 diff hist 0 Em1815 Yr2 M R D No edit summary
- 12:2112:21, 24 May 2017 diff hist +287 Em1815 Yr2 M R D No edit summary
- 12:1812:18, 24 May 2017 diff hist 0 N File:Em1815 Internuclear d=0.908 vs time.png No edit summary current
- 12:1712:17, 24 May 2017 diff hist 0 N File:Em1815 Internuclear d vs time.png No edit summary current
- 12:1512:15, 24 May 2017 diff hist +42 Em1815 Yr2 M R D No edit summary
- 11:5911:59, 24 May 2017 diff hist +55 Em1815 Yr2 M R D →Molecular Reaction Dynamics: Applications to Triatomic systems
- 11:0811:08, 24 May 2017 diff hist +496 Em1815 Yr2 M R D →Molecular Reaction Dynamics: Applications to Triatomic systems
- 09:3309:33, 24 May 2017 diff hist +173 Em1815 Yr2 M R D No edit summary
16 May 2017
- 16:3616:36, 16 May 2017 diff hist −84 Em1815 Yr2 M R D →Molecular Reaction Dynamics: Applications to Triatomic systems
- 16:3316:33, 16 May 2017 diff hist −3 Em1815 Yr2 M R D →Molecular Reaction Dynamics: Applications to Triatomic systems
- 16:3216:32, 16 May 2017 diff hist +569 Em1815 Yr2 M R D /* Question 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 transition structures can be distinguished using the curvature of the potential energy sur...
- 16:1516:15, 16 May 2017 diff hist −1 Em1815 Yr2 M R D →EXERCISE 1: H + H2 system
- 16:1516:15, 16 May 2017 diff hist +1 Em1815 Yr2 M R D →Molecular Reaction Dynamics: Applications to Triatomic systems
- 16:1516:15, 16 May 2017 diff hist −22 Em1815 Yr2 M R D No edit summary
- 16:1416:14, 16 May 2017 diff hist +15 Em1815 Yr2 M R D →Molecular Reaction Dynamics: Applications to Triatomic systems
- 16:1416:14, 16 May 2017 diff hist +1 Em1815 Yr2 M R D →Molecular Reaction Dynamics: Applications to Triatomic systems
- 16:1316:13, 16 May 2017 diff hist +245 Em1815 Yr2 M R D No edit summary
- 16:1116:11, 16 May 2017 diff hist +11 Em1815 Yr2 M R D No edit summary
- 16:1116:11, 16 May 2017 diff hist +14 Em1815 Yr2 M R D No edit summary
- 16:1116:11, 16 May 2017 diff hist +7 Em1815 Yr2 M R D →Molecular Reaction Dynamics: Applications to Triatomic systems
- 16:1016:10, 16 May 2017 diff hist +140 Em1815 Yr2 M R D →Molecular Reaction Dynamics: Applications to Triatomic systems
- 11:3011:30, 16 May 2017 diff hist −1 Em1815 Yr2 M R D No edit summary
- 11:3011:30, 16 May 2017 diff hist +7 Em1815 Yr2 M R D →Molecular Reaction Dynamics: Applications to Triatomic systems