User contributions for Fd915
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16 May 2017
- 14:2414:24, 16 May 2017 diff hist +3 MRD:felixdcifd915 →Report your best estimate of the transition state position (rts) and explain your reasoning illustrating it with a “Internuclear Distances vs Time” screenshot for a relevant trajectory. Tag: Visual edit
- 14:2314:23, 16 May 2017 diff hist −4 MRD:felixdcifd915 No edit summary
- 14:2214:22, 16 May 2017 diff hist +8 MRD:felixdcifd915 No edit summary
- 14:2114:21, 16 May 2017 diff hist +1 MRD:felixdcifd915 No edit summary
- 14:2114:21, 16 May 2017 diff hist +31 MRD:felixdcifd915 No edit summary
- 14:1214:12, 16 May 2017 diff hist +18 MRD:felixdcifd915 No edit summary
- 14:1114:11, 16 May 2017 diff hist 0 N File:Showing ridge on transition.png No edit summary current
- 14:1114:11, 16 May 2017 diff hist +190 MRD:felixdcifd915 No edit summary
- 14:0614:06, 16 May 2017 diff hist +126 MRD:felixdcifd915 No edit summary Tag: Visual edit
- 14:0414:04, 16 May 2017 diff hist +110 MRD:felixdcifd915 →Report your best estimate of the transition state position (rts) and explain your reasoning illustrating it with a “Internuclear Distances vs Time” screenshot for a relevant trajectory. Tag: Visual edit: Switched
- 14:0114:01, 16 May 2017 diff hist 0 MRD:felixdcifd915 →Report your best estimate of the transition state position (rts) and explain your reasoning illustrating it with a “Internuclear Distances vs Time” screenshot for a relevant trajectory.
- 14:0114:01, 16 May 2017 diff hist 0 MRD:felixdcifd915 →Report your best estimate of the transition state position (rts) and explain your reasoning illustrating it with a “Internuclear Distances vs Time” screenshot for a relevant trajectory.
- 14:0114:01, 16 May 2017 diff hist +6 MRD:felixdcifd915 →Report your best estimate of the transition state position (rts) and explain your reasoning illustrating it with a “Internuclear Distances vs Time” screenshot for a relevant trajectory.
- 14:0014:00, 16 May 2017 diff hist −15 MRD:felixdcifd915 →Molecular Reaction Dynamics, fd915
- 13:5913:59, 16 May 2017 diff hist 0 N File:T.State IntDis Time.png No edit summary current
- 13:5813:58, 16 May 2017 diff hist 0 MRD:felixdcifd915 No edit summary
- 13:5513:55, 16 May 2017 diff hist +49 MRD:felixdcifd915 →Molecular Reaction Dynamics, fd915 Tag: Visual edit: Switched
- 13:5313:53, 16 May 2017 diff hist 0 N File:Int. Dis. vs Time Transition State.png No edit summary current
- 13:5013:50, 16 May 2017 diff hist +216 MRD:felixdcifd915 →Molecular Reaction Dynamics, fd915 Tag: Visual edit
- 13:1713:17, 16 May 2017 diff hist +600 MRD:felixdcifd915 No edit summary Tag: Visual edit
- 13:0913:09, 16 May 2017 diff hist +459 N MRD:felixdcifd915 Created page with "== Molecular Reaction Dynamics, fd915 == https://wiki.ch.ic.ac.uk/wiki/index.php?title=Title%3DMod:inorganic_wiki_page_instructions === What value does the total gradient of..." Tag: Visual edit
19 February 2016
- 15:5415:54, 19 February 2016 diff hist +2 5446WMN →NH3 Optimisation current
- 15:5215:52, 19 February 2016 diff hist +35 5446WMN →My Own Molecule
- 15:5115:51, 19 February 2016 diff hist −171 5446WMN No edit summary
- 15:4915:49, 19 February 2016 diff hist +1 5446WMN →H2 Optimisation:
- 15:4215:42, 19 February 2016 diff hist +29 5446WMN →Optimisation, Vibrations and Charges, Reactions and Orbitals
- 15:4015:40, 19 February 2016 diff hist −8 5446WMN →My Own Molecule
- 15:4015:40, 19 February 2016 diff hist 0 File:FD915 H20 OPTIMISATION.LOG Fd915 uploaded a new version of File:FD915 H20 OPTIMISATION.LOG current
- 15:3915:39, 19 February 2016 diff hist 0 N File:FD915 H20 OPTIMISATION.LOG No edit summary
- 15:3815:38, 19 February 2016 diff hist +3 5446WMN →My Own Molecule
- 15:3815:38, 19 February 2016 diff hist +6 5446WMN No edit summary
- 15:3615:36, 19 February 2016 diff hist +423 5446WMN No edit summary
- 15:3215:32, 19 February 2016 diff hist +286 5446WMN No edit summary
- 15:2715:27, 19 February 2016 diff hist +9 5446WMN →Optimisation, Vibrations and Charges, Reactions and Orbitals
- 15:2515:25, 19 February 2016 diff hist +40 5446WMN →Optimisation, Vibrations and Charges, Reactions and Orbitals
- 15:2415:24, 19 February 2016 diff hist +43 5446WMN →Optimisation, Vibrations and Charges, Reactions and Orbitals
- 15:2015:20, 19 February 2016 diff hist +101 5446WMN →Felix Introduction to Molecular Modelling - Dr. Hunt
- 15:1415:14, 19 February 2016 diff hist +861 5446WMN →My Own Molecule
- 14:5614:56, 19 February 2016 diff hist +136 5446WMN →Molecular Orbitals of the Optimised Water Molecule
- 14:4714:47, 19 February 2016 diff hist +385 5446WMN No edit summary
- 14:3414:34, 19 February 2016 diff hist +6 5446WMN →My Own Molecule
- 14:3314:33, 19 February 2016 diff hist −287 5446WMN No edit summary
- 14:3214:32, 19 February 2016 diff hist +554 5446WMN No edit summary
- 14:1614:16, 19 February 2016 diff hist 0 N File:Water 1o.png No edit summary current
- 14:1514:15, 19 February 2016 diff hist 0 N File:Water 2o.png No edit summary current
- 14:1414:14, 19 February 2016 diff hist 0 N File:Water 2ostar.png No edit summary current
- 14:1314:13, 19 February 2016 diff hist 0 N File:Water HOMO.png No edit summary current
- 14:1314:13, 19 February 2016 diff hist 0 N File:Water LUMO 2.png No edit summary current
- 14:1214:12, 19 February 2016 diff hist 0 N File:Water LUMO 1.png No edit summary current
- 14:1014:10, 19 February 2016 diff hist −52 5446WMN →My Own Molecule