User contributions for Xlt15
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9 May 2017
- 14:3014:30, 9 May 2017 diff hist −31 MRD:xlt15 →Trajectories from r1 = rts+δ, r2 = rts
- 14:3014:30, 9 May 2017 diff hist 0 N File:Qq.png No edit summary current
- 14:2914:29, 9 May 2017 diff hist +26 MRD:xlt15 →Trajectories from r1 = rts+δ, r2 = rts
- 14:2714:27, 9 May 2017 diff hist +7 MRD:xlt15 →Trajectories from r1 = rts+δ, r2 = rts
- 14:2714:27, 9 May 2017 diff hist 0 N File:Q3dynamicmomentumvstime changerbc.PNG No edit summary current
- 14:2614:26, 9 May 2017 diff hist −8 MRD:xlt15 →Trajectories from r1 = rts+δ, r2 = rts
- 14:2514:25, 9 May 2017 diff hist −8 MRD:xlt15 →Trajectories from r1=r2: Locating the Transition State
- 14:2414:24, 9 May 2017 diff hist −24 MRD:xlt15 →Trajectories from r1 = rts+δ, r2 = rts
- 14:1614:16, 9 May 2017 diff hist 0 N File:2xlt15.PNG No edit summary current
- 14:1314:13, 9 May 2017 diff hist 0 File:Q3dynamicsurfaceplot changerbc.PNG Xlt15 uploaded a new version of File:Q3dynamicsurfaceplot changerbc.PNG current
- 14:1214:12, 9 May 2017 diff hist +99 MRD:xlt15 →Trajectories from r1 = rts+δ, r2 = rts
- 14:0914:09, 9 May 2017 diff hist 0 N File:Q3mepsurfaceplot changerbc.PNG No edit summary
- 14:0914:09, 9 May 2017 diff hist 0 N File:Q3dynamicsurfaceplot changerbc.PNG No edit summary
- 14:0614:06, 9 May 2017 diff hist +2 MRD:xlt15 →Trajectories from r1 = rts+δ, r2 = rts
- 14:0614:06, 9 May 2017 diff hist +239 MRD:xlt15 →Trajectories from r1 = rts+δ, r2 = rts
- 13:4413:44, 9 May 2017 diff hist +54 MRD:xlt15 →Calculating The Reaction Path
- 13:4213:42, 9 May 2017 diff hist +170 MRD:xlt15 →Trajectories from r1=r2: Locating the Transition State
- 13:0313:03, 9 May 2017 diff hist +39 MRD:xlt15 →Trajectories from r1=r2: Locating the Transition State
- 12:4912:49, 9 May 2017 diff hist +41 MRD:xlt15 →Trajectories from r1=r2: Locating the Transition State
- 12:4212:42, 9 May 2017 diff hist 0 MRD:xlt15 →Trajectories from r1=r2: Locating the Transition State
- 12:4212:42, 9 May 2017 diff hist +2 MRD:xlt15 →Trajectories from r1=r2: Locating the Transition State
- 12:4112:41, 9 May 2017 diff hist +38 MRD:xlt15 →Reaction 1: H + H2
- 12:3812:38, 9 May 2017 diff hist 0 File:Q2 distancevstimeTS.png Xlt15 uploaded a new version of File:Q2 distancevstimeTS.png current
- 12:3512:35, 9 May 2017 diff hist 0 N File:Q2 distancevstimeTS.png No edit summary
- 12:3412:34, 9 May 2017 diff hist +80 MRD:xlt15 →Reaction 1: H + H2
- 12:2912:29, 9 May 2017 diff hist +64 MRD:xlt15 →Reaction 1: H + H2
- 12:2812:28, 9 May 2017 diff hist +47 MRD:xlt15 →Reaction 1: H + H2
- 12:2212:22, 9 May 2017 diff hist +358 N MRD:xlt15 Created page with "==Reaction 1: H + H<sub>2</sub> == The total gradient of the potential energy surface is 0 at minimum and at a transition structure. Since transition state is defined as maxi..."
26 February 2016
- 16:2616:26, 26 February 2016 diff hist −21 Rep:Mod:xlt15 No edit summary
- 16:2016:20, 26 February 2016 diff hist +82 Rep:Mod:xlt15 →Introduction
- 16:1916:19, 26 February 2016 diff hist +19 Rep:Mod:xlt15 No edit summary
- 16:1816:18, 26 February 2016 diff hist +26 Rep:Mod:xlt15 →Reference
- 16:1516:15, 26 February 2016 diff hist 0 Rep:Mod:xlt15 →Atomic Charge
- 16:1416:14, 26 February 2016 diff hist +11 Rep:Mod:xlt15 →Reference
- 16:1116:11, 26 February 2016 diff hist +2 Rep:Mod:xlt15 No edit summary
- 16:1016:10, 26 February 2016 diff hist +55 Rep:Mod:xlt15 No edit summary
- 16:0016:00, 26 February 2016 diff hist +1 Rep:Mod:xlt15 No edit summary
- 15:5915:59, 26 February 2016 diff hist −97 Rep:Mod:xlt15 No edit summary
- 15:5115:51, 26 February 2016 diff hist −32 Rep:Mod:xlt15 →Molecular Obitals (MO)
- 15:4815:48, 26 February 2016 diff hist −1 Rep:Mod:xlt15 →Molecular Obitals (MO)
- 15:4715:47, 26 February 2016 diff hist −10 Rep:Mod:xlt15 →Antibonding MO, LUMO (Lowest Unoccupied Molecular Orbital)
- 15:4615:46, 26 February 2016 diff hist +12 Rep:Mod:xlt15 No edit summary
- 15:3915:39, 26 February 2016 diff hist +136 Rep:Mod:xlt15 No edit summary
- 15:3815:38, 26 February 2016 diff hist 0 N File:2sigmach4.jpg No edit summary current
- 15:3715:37, 26 February 2016 diff hist 0 N File:1sigmach4.jpg No edit summary current
- 15:3215:32, 26 February 2016 diff hist +1,020 Rep:Mod:xlt15 No edit summary
- 14:3314:33, 26 February 2016 diff hist −10 Rep:Mod:xlt15 No edit summary
- 14:3214:32, 26 February 2016 diff hist +4 Rep:Mod:xlt15 No edit summary
- 14:3014:30, 26 February 2016 diff hist +1 Rep:Mod:xlt15 →Gaussian Calculation Summary
- 14:3014:30, 26 February 2016 diff hist +4 Rep:Mod:xlt15 →Gaussian Calculation Summary