User contributions for Yc10315

11:3111:31, 18 May 2018 diff hist 0 File:FHH TE yh.png Yc10315 uploaded a new version of File:FHH TE yh.png current
11:3111:31, 18 May 2018 diff hist 0 File:FHH TE yh.png Yc10315 uploaded a new version of File:FHH TE yh.png
11:3011:30, 18 May 2018 diff hist 0 File:FHH TE yh.png Yc10315 uploaded a new version of File:FHH TE yh.png
11:2711:27, 18 May 2018 diff hist +321 MRD:01075185 →F+ H2 reaction system investigation
11:1211:12, 18 May 2018 diff hist +656 MRD:01075185 →F+ H2 reaction system investigation
11:0211:02, 18 May 2018 diff hist +133 MRD:01075185 →F+ H2 reaction system investigation
11:0111:01, 18 May 2018 diff hist 0 N File:FHH TS PATH YH.png No edit summary current
10:5910:59, 18 May 2018 diff hist +68 MRD:01075185 →F+ H2 reaction system investigation
10:5810:58, 18 May 2018 diff hist 0 N File:FHH TE YH1.png No edit summary current
10:3110:31, 18 May 2018 diff hist −6 MRD:01075185 →F+ H2 reaction system investigation
10:0410:04, 18 May 2018 diff hist −5 MRD:01075185 →F+ H2 reaction system investigation
10:0310:03, 18 May 2018 diff hist +86 MRD:01075185 →F+ H2 reaction system investigation
09:5009:50, 18 May 2018 diff hist −676 MRD:01075185 →F+ H2 reaction system investigation
09:3809:38, 18 May 2018 diff hist −65 MRD:01075185 →F+ H2 reaction system investigation

22:1822:18, 17 May 2018 diff hist +154 MRD:01075185 →F+ H2 reaction system investigation
16:3516:35, 17 May 2018 diff hist +6 MRD:01075185 →H + HF reaction system investigation
16:3516:35, 17 May 2018 diff hist +50 MRD:01075185 →H + HF reaction system investigation
16:3416:34, 17 May 2018 diff hist 0 N File:HFH PES yh.png No edit summary current
16:1616:16, 17 May 2018 diff hist +5 MRD:01075185 →F+ H2 reaction system investigation
16:1616:16, 17 May 2018 diff hist +61 MRD:01075185 →F+ H2 reaction system investigation
16:0716:07, 17 May 2018 diff hist +44 MRD:01075185 →F+ H2 reaction system investigation
16:0616:06, 17 May 2018 diff hist −52 MRD:01075185 →H + H - F reaction system investigation
16:0616:06, 17 May 2018 diff hist +43 MRD:01075185 →F - H - H reaction system investigation
16:0616:06, 17 May 2018 diff hist −1 MRD:01075185 →F + H - H reaction system investigation
16:0516:05, 17 May 2018 diff hist +521 MRD:01075185 →F - H - H reaction system investigation
15:5015:50, 17 May 2018 diff hist 0 File:FHH TE yh.png Yc10315 uploaded a new version of File:FHH TE yh.png
15:3415:34, 17 May 2018 diff hist 0 MRD:01075185 →F - H - H reaction system investigation
15:3415:34, 17 May 2018 diff hist 0 MRD:01075185 →F - H - H reaction system investigation
15:3415:34, 17 May 2018 diff hist +78 MRD:01075185 →F - H - H reaction system investigation
15:3315:33, 17 May 2018 diff hist 0 N File:FHH TE yh.png No edit summary
15:0015:00, 17 May 2018 diff hist +556 MRD:01075185 →F - H - H reaction system investigation
14:5414:54, 17 May 2018 diff hist +292 MRD:01075185 →F - H - H reaction system investigation
14:5314:53, 17 May 2018 diff hist 0 N File:FHH TS id vs time yh.png No edit summary current
14:4314:43, 17 May 2018 diff hist +538 MRD:01075185 cc
14:3914:39, 17 May 2018 diff hist 0 MRD:01075185 →F - H - H reaction system investigation
14:3814:38, 17 May 2018 diff hist −1 MRD:01075185 →F - H - H reaction system investigation
14:3714:37, 17 May 2018 diff hist −14 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...
14:3514:35, 17 May 2018 diff hist +58 MRD:01075185 →F - H - H reaction system investigation
14:3414:34, 17 May 2018 diff hist 0 N File:FHH PES yh.png No edit summary current
14:0414:04, 17 May 2018 diff hist −2 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...
14:0314:03, 17 May 2018 diff hist +2 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...
14:0314:03, 17 May 2018 diff hist +206 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...
14:0214:02, 17 May 2018 diff hist +549 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...
13:5913:59, 17 May 2018 diff hist +175 MRD:01075185 →Finding the best estimate of the transition state position (rts) and the explanation for it
13:5313:53, 17 May 2018 diff hist +41 MRD:01075185 →Finding the best estimate of the transition state position (rts) and the explanation for it
13:5213:52, 17 May 2018 diff hist 0 N File:0.961 dist yh.png No edit summary current
13:4813:48, 17 May 2018 diff hist +19 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...
13:4713:47, 17 May 2018 diff hist +52 MRD:01075185 No edit summary
13:4613:46, 17 May 2018 diff hist −91 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
13:4513:45, 17 May 2018 diff hist +1,056 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...

18 May 2018

17 May 2018