User contributions for Ms7215
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15 May 2018
- 16:2116:21, 15 May 2018 diff hist +102 MRD:MaxStocker →Reactive and Unreactive trajectories
- 16:0616:06, 15 May 2018 diff hist +1,075 MRD:MaxStocker →Reactive and Unreactive trajectories
- 15:2215:22, 15 May 2018 diff hist +627 MRD:MaxStocker →Reactive and Unreactive trajectories
- 15:2215:22, 15 May 2018 diff hist 0 N File:Maxs rornot 5.png No edit summary current
- 15:1815:18, 15 May 2018 diff hist 0 N File:Maxs rornot 4.png No edit summary current
- 15:1615:16, 15 May 2018 diff hist 0 N File:Maxs rornot 3.png No edit summary current
- 15:1215:12, 15 May 2018 diff hist 0 N File:Maxs rornot 2.png No edit summary current
- 15:1015:10, 15 May 2018 diff hist +5 MRD:MaxStocker →Reactive and Unreactive trajectories
- 15:0915:09, 15 May 2018 diff hist −5 MRD:MaxStocker →Reactive and Unreactive trajectories
- 15:0715:07, 15 May 2018 diff hist +6 MRD:MaxStocker →Reactive and Unreactive trajectories
- 15:0615:06, 15 May 2018 diff hist +539 MRD:MaxStocker →Trajectories from r1 = rts+δ, r2 = rts
- 15:0515:05, 15 May 2018 diff hist 0 N File:Maxs rornot 1.png No edit summary current
- 14:4114:41, 15 May 2018 diff hist +266 MRD:MaxStocker →Trajectories from r1 = rts+δ, r2 = rts
- 14:3914:39, 15 May 2018 diff hist +91 MRD:MaxStocker →Exercise 1: H + H2 system
- 14:3214:32, 15 May 2018 diff hist +73 MRD:MaxStocker →Trajectories from r1 = r2 : locating transition state
- 14:2914:29, 15 May 2018 diff hist 0 File:MaxS 3HAtoms symvib.png Ms7215 uploaded a new version of File:MaxS 3HAtoms symvib.png current
- 14:2414:24, 15 May 2018 diff hist +330 MRD:MaxStocker →Exercise 1: H + H2 system
- 14:1114:11, 15 May 2018 diff hist 0 N File:MaxS 3HAtoms symvib.png No edit summary
- 14:0114:01, 15 May 2018 diff hist +487 N MRD:MaxStocker Created page with "==Exercise 1: H + H2 system== ===Dynamics from the transition state region=== Both gradients are zero for a minimum and a saddle point. To determine the nature of each statio..."
4 May 2018
- 14:4514:45, 4 May 2018 diff hist +106 Rep:Mod:MaxSLab →Project Section
- 14:4514:45, 4 May 2018 diff hist 0 N File:MaxS MOs.PNG No edit summary current
- 13:1813:18, 4 May 2018 diff hist −3 Rep:Mod:MaxSLab →Charge Distribution Differences
- 13:1813:18, 4 May 2018 diff hist +4 Rep:Mod:MaxSLab →Charge Distribution Differences
- 13:1713:17, 4 May 2018 diff hist −1 Rep:Mod:MaxSLab →Low Frequency lines for BBr3 Frequency Analysis
- 13:1713:17, 4 May 2018 diff hist +3 Rep:Mod:MaxSLab →Low Frequency lines for NH3 Frequency Analysis
- 13:1613:16, 4 May 2018 diff hist −1 Rep:Mod:MaxSLab →Low Frequency lines for NH3BH3 Frequency Analysis
- 13:1513:15, 4 May 2018 diff hist 0 Rep:Mod:MaxSLab →BH3 Vibrational Spectrum
- 13:1513:15, 4 May 2018 diff hist +50 Rep:Mod:MaxSLab →BH3 Vibrational Spectrum
- 13:1413:14, 4 May 2018 diff hist +6 Rep:Mod:MaxSLab →BH3 MO Diagram
- 13:1213:12, 4 May 2018 diff hist +36 Rep:Mod:MaxSLab →BH3 MO Diagram
3 May 2018
- 18:5518:55, 3 May 2018 diff hist +1,278 Rep:Mod:MaxSLab →Charge Distribution Differences
- 17:5617:56, 3 May 2018 diff hist +68 Rep:Mod:MaxSLab →Charge Distribution Differences
- 17:5517:55, 3 May 2018 diff hist 0 N File:MaxS P cation Charge dist.PNG No edit summary current
- 17:5317:53, 3 May 2018 diff hist 0 N File:MaxS N cation Charge dist.PNG No edit summary current
- 17:5217:52, 3 May 2018 diff hist +188 Rep:Mod:MaxSLab →Project Section
- 17:3117:31, 3 May 2018 diff hist +360 Rep:Mod:MaxSLab No edit summary
- 17:3017:30, 3 May 2018 diff hist +201 Rep:Mod:MaxSLab →Project Section
- 17:2717:27, 3 May 2018 diff hist 0 N File:MAXS PCATION FREQ.LOG No edit summary current
- 17:1517:15, 3 May 2018 diff hist +1 Rep:Mod:MaxSLab →Project Section
- 17:1417:14, 3 May 2018 diff hist +53 Rep:Mod:MaxSLab No edit summary
- 17:1317:13, 3 May 2018 diff hist 0 N File:MAXS NCATION FREQ.LOG No edit summary current
- 17:0917:09, 3 May 2018 diff hist +145 Rep:Mod:MaxSLab →Optimisation and Freq analysis
- 17:0517:05, 3 May 2018 diff hist +565 Rep:Mod:MaxSLab →Project Section
- 17:0117:01, 3 May 2018 diff hist +19 Rep:Mod:MaxSLab →[N(CH3)4]+
- 17:0017:00, 3 May 2018 diff hist +6 Rep:Mod:MaxSLab →[N(CH3)4]+
- 16:5616:56, 3 May 2018 diff hist 0 N File:MaxS P cation op.PNG No edit summary current
- 16:5416:54, 3 May 2018 diff hist +395 Rep:Mod:MaxSLab →Optimisation and Freq analysis
- 16:5316:53, 3 May 2018 diff hist +178 Rep:Mod:MaxSLab →Project Section
- 16:5216:52, 3 May 2018 diff hist 0 N File:MaxS N cation op.PNG No edit summary current
- 16:2516:25, 3 May 2018 diff hist +22 Rep:Mod:MaxSLab →BBr3