User contributions for Yc10315
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17 May 2018
- 13:2813:28, 17 May 2018 diff hist 0 MRD:01075185 /* Reactive and unreactive trajectories: 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 s...
- 13:2713:27, 17 May 2018 diff hist 0 File:Trajectory 41 yh surface.png Yc10315 uploaded a new version of File:Trajectory 41 yh surface.png current
- 13:2413:24, 17 May 2018 diff hist +86 MRD:01075185 /* Reactive and unreactive trajectories: 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 s...
- 13:2413:24, 17 May 2018 diff hist 0 N File:Trajectory 51 yh surface.png No edit summary current
- 13:2313:23, 17 May 2018 diff hist 0 N File:Trajectory 41 yh surface.png No edit summary
- 13:1713:17, 17 May 2018 diff hist −39 MRD:01075185 /* Reactive and unreactive trajectories: 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 s...
- 13:0713:07, 17 May 2018 diff hist +48 MRD:01075185 /* Reactive and unreactive trajectories: 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 s...
- 13:0613:06, 17 May 2018 diff hist 0 MRD:01075185 /* Reactive and unreactive trajectories: 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 s...
- 13:0513:05, 17 May 2018 diff hist +30 MRD:01075185 /* Reactive and unreactive trajectories: 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 s...
- 13:0413:04, 17 May 2018 diff hist 0 N File:Trajectory 2 yh.png No edit summary current
- 13:0413:04, 17 May 2018 diff hist 0 File:Trajectory 2.png Yc10315 uploaded a new version of File:Trajectory 2.png current
- 13:0313:03, 17 May 2018 diff hist −30 MRD:01075185 No edit summary
- 13:0213:02, 17 May 2018 diff hist +142 MRD:01075185 /* Reactive and unreactive trajectories: 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 s...
- 13:0113:01, 17 May 2018 diff hist −92 MRD:01075185 /* Reactive and unreactive trajectories: 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 s...
- 12:5912:59, 17 May 2018 diff hist +128 MRD:01075185 /* Reactive and unreactive trajectories: 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 s...
- 12:5812:58, 17 May 2018 diff hist 0 N File:Trajectory 5 yh.png No edit summary current
- 12:5812:58, 17 May 2018 diff hist 0 N File:Trajectory 4 yh.png No edit summary current
- 12:5712:57, 17 May 2018 diff hist 0 N File:Trajectory 3 yh.png No edit summary current
- 12:5712:57, 17 May 2018 diff hist 0 N File:Trajectory 1 yh.png No edit summary current
- 12:5712:57, 17 May 2018 diff hist 0 File:Trajectory 1.png Yc10315 uploaded a new version of File:Trajectory 1.png
- 12:5412:54, 17 May 2018 diff hist 0 File:Trajectory 2.png Yc10315 uploaded a new version of File:Trajectory 2.png
- 12:5412:54, 17 May 2018 diff hist 0 File:Trajectory 1.png Yc10315 uploaded a new version of File:Trajectory 1.png
- 12:4512:45, 17 May 2018 diff hist −4 MRD:01075185 /* Reactive and unreactive trajectories: 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 s...
- 12:4312:43, 17 May 2018 diff hist +74 MRD:01075185 /* Reactive and unreactive trajectories: 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 smal
- 12:3212:32, 17 May 2018 diff hist +84 MRD:01075185 /* Reactive and unreactive trajectories: 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 s...
- 12:1612:16, 17 May 2018 diff hist +85 MRD:01075185 /* Reactive and unreactive trajectories: 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 s...
- 12:1212:12, 17 May 2018 diff hist +29 MRD:01075185 /* Reactive and unreactive trajectories: 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 s...
- 12:1012:10, 17 May 2018 diff hist +126 MRD:01075185 /* Reactive and unreactive trajectories: 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 s...
- 11:4711:47, 17 May 2018 diff hist −9 MRD:01075185 →Comment on how the mep and the trajectory you just calculated differ
- 11:4311:43, 17 May 2018 diff hist +312 MRD:01075185 No edit summary
- 11:3911:39, 17 May 2018 diff hist +491 MRD:01075185 →Comment on how the mep and the trajectory you just calculated differ
- 11:3311:33, 17 May 2018 diff hist 0 N File:Mep id vs time.png No edit summary current
- 11:3311:33, 17 May 2018 diff hist 0 N File:Dynamic id vs time.png No edit summary current
- 11:0811:08, 17 May 2018 diff hist +89 MRD:01075185 →Comment on how the mep and the trajectory you just calculated differ
- 10:5210:52, 17 May 2018 diff hist +646 MRD:01075185 →Comment on how the mep and the trajectory you just calculated differ
- 10:4410:44, 17 May 2018 diff hist 0 N File:Mep momentum vs time.png No edit summary current
- 10:4310:43, 17 May 2018 diff hist 0 N File:Dynamic momentum vs time.png No edit summary current
- 10:4110:41, 17 May 2018 diff hist −64 MRD:01075185 →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
- 10:4010:40, 17 May 2018 diff hist +3 MRD:01075185 →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
- 10:3810:38, 17 May 2018 diff hist −6 MRD:01075185 /* 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 en...
- 10:1410:14, 17 May 2018 diff hist +83 MRD:01075185 →Comment on how the mep and the trajectory you just calculated differ
- 10:1310:13, 17 May 2018 diff hist +190 MRD:01075185 →Comment on how the mep and the trajectory you just calculated differ
- 10:1010:10, 17 May 2018 diff hist 0 N File:Mep path 9000steps.png No edit summary current
- 10:0010:00, 17 May 2018 diff hist +487 MRD:01075185 No edit summary
15 May 2018
- 15:5715:57, 15 May 2018 diff hist +247 MRD:01075185 →Comment on how the mep and the trajectory you just calculated differ
- 15:5515:55, 15 May 2018 diff hist −20 MRD:01075185 No edit summary
- 15:5315:53, 15 May 2018 diff hist +156 MRD:01075185 No edit summary
- 15:5215:52, 15 May 2018 diff hist 0 N File:Mep path.png No edit summary current
- 15:5215:52, 15 May 2018 diff hist 0 N File:Dynamic path.png No edit summary current
- 15:4315:43, 15 May 2018 diff hist +1 MRD:01075185 No edit summary