User contributions for Jef15
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11 May 2017
- 15:1015:10, 11 May 2017 diff hist 0 N File:Jef15H2 + F distances.PNG No edit summary current
- 15:0915:09, 11 May 2017 diff hist 0 N File:Jef15H2 + F momenta.PNG No edit summary current
- 13:3813:38, 11 May 2017 diff hist +20 MRD:jef15 No edit summary
- 13:3813:38, 11 May 2017 diff hist +308 MRD:jef15 No edit summary
- 13:3613:36, 11 May 2017 diff hist 0 N File:Jef15 H2F TS.PNG No edit summary current
- 13:2413:24, 11 May 2017 diff hist +1,726 MRD:jef15 No edit summary
- 12:3812:38, 11 May 2017 diff hist 0 N File:Jef15HF + H.PNG No edit summary current
- 12:3812:38, 11 May 2017 diff hist 0 N File:Jef15H2 + F.PNG No edit summary current
- 11:5211:52, 11 May 2017 diff hist +2 MRD:jef15 No edit summary
10 May 2017
- 11:2911:29, 10 May 2017 diff hist +772 MRD:jef15 No edit summary
9 May 2017
- 15:2715:27, 9 May 2017 diff hist +210 MRD:jef15 No edit summary
- 15:2415:24, 9 May 2017 diff hist +284 MRD:jef15 →Exercise 1: H + H2 system
- 15:2315:23, 9 May 2017 diff hist 0 N File:Jef15Traj5 r.PNG No edit summary current
- 15:2315:23, 9 May 2017 diff hist 0 N File:Jef15Traj4 u.PNG No edit summary current
- 15:2215:22, 9 May 2017 diff hist 0 N File:Jef15Traj3 r.PNG No edit summary current
- 15:2215:22, 9 May 2017 diff hist 0 N File:Jef15Traj2 u.PNG No edit summary current
- 15:2115:21, 9 May 2017 diff hist 0 N File:Traj2 u.PNG No edit summary current
- 15:2015:20, 9 May 2017 diff hist 0 N File:Jef15Traj1 r.PNG No edit summary current
- 15:1515:15, 9 May 2017 diff hist +1,161 MRD:jef15 →Exercise 1: H + H2 system
- 14:5714:57, 9 May 2017 diff hist 0 N File:Jef15 Trajectory.PNG No edit summary current
- 14:5514:55, 9 May 2017 diff hist 0 N File:Jef15 MEP.PNG No edit summary current
- 14:5314:53, 9 May 2017 diff hist 0 File:MEP.PNG Jef15 uploaded a new version of File:MEP.PNG
- 13:5613:56, 9 May 2017 diff hist −5 MRD:jef15 →Exercise 1: H + H2 system
- 13:5413:54, 9 May 2017 diff hist +245 MRD:jef15 →Exercise 1: H + H2 system
- 13:4013:40, 9 May 2017 diff hist +37 N File:Jef15 Finding Transition State.PNG Plot of Internuclear Distance vs Time current
- 13:3813:38, 9 May 2017 diff hist +418 MRD:jef15 No edit summary Tag: Visual edit: Switched
- 12:5012:50, 9 May 2017 diff hist +677 N MRD:jef15 Created page with "==Exercise 1: H + H<sub>2</sub> system== ''What value does the total gradient of the potential energy surface have at a minimum and at a transition structure? Briefly explain..."
3 March 2016
- 16:4216:42, 3 March 2016 diff hist +71 Rep:Mod:JF1234 →Haber-Bosch Process
- 16:3916:39, 3 March 2016 diff hist +443 Rep:Mod:JF1234 →Computational Lab: Introduction to Molecular Modelling 2
- 16:3116:31, 3 March 2016 diff hist +684 Rep:Mod:JF1234 No edit summary
- 16:1716:17, 3 March 2016 diff hist +175 Rep:Mod:JF1234 →Molecular Orbitals
- 16:1216:12, 3 March 2016 diff hist −193 Rep:Mod:JF1234 →Molecular Orbitals
- 16:1116:11, 3 March 2016 diff hist 0 N File:JField HCl antibonding.PNG No edit summary current
- 15:5315:53, 3 March 2016 diff hist +120 Rep:Mod:JF1234 →BH3
- 15:5115:51, 3 March 2016 diff hist +775 Rep:Mod:JF1234 No edit summary
- 15:5115:51, 3 March 2016 diff hist 0 N File:JFIELD BH3 Vibrations.PNG No edit summary current
- 15:4915:49, 3 March 2016 diff hist 0 N File:JFIELD BH3 OPTF POP.LOG No edit summary current
- 15:4115:41, 3 March 2016 diff hist +24 Rep:Mod:JF1234 No edit summary
- 15:2815:28, 3 March 2016 diff hist +2 Rep:Mod:JF1234 →Results of Optimisation
- 15:2715:27, 3 March 2016 diff hist −7 Rep:Mod:JF1234 →Reaction Energies for Haber-Bosch Process
- 15:2415:24, 3 March 2016 diff hist +4 Rep:Mod:JF1234 →Molecular Orbitals
- 15:2315:23, 3 March 2016 diff hist +64 Rep:Mod:JF1234 →HCl
- 15:2215:22, 3 March 2016 diff hist 0 Rep:Mod:JF1234 →HCl
- 15:2015:20, 3 March 2016 diff hist +801 Rep:Mod:JF1234 →Computational Lab: Introduction to Molecular Modelling 2
- 14:5814:58, 3 March 2016 diff hist +188 Rep:Mod:JF1234 →HCl
- 14:5714:57, 3 March 2016 diff hist 0 N File:JField HCl 2pi antibonding.PNG No edit summary current
- 14:5714:57, 3 March 2016 diff hist 0 N File:JField HCl 2pi bonding.PNG No edit summary current
- 14:5514:55, 3 March 2016 diff hist 0 N File:JField HCl s antibonding.PNG No edit summary current
- 14:5514:55, 3 March 2016 diff hist 0 N File:JField HCl s bonding.PNG No edit summary current
- 14:5414:54, 3 March 2016 diff hist 0 N File:JField HCl 1s bonding.PNG No edit summary current