User contributions for Rs7913

14:4914:49, 12 May 2017 diff hist +196 MRD:RS7913 →Reactive and unreactive trajectories from initial positions r1 = 0.74 and r2 = 2.0 Tag: Visual edit
14:4614:46, 12 May 2017 diff hist 0 N File:Trajectory RS7913 Fig3 Dynamics.png No edit summary current
14:4414:44, 12 May 2017 diff hist 0 N File:Trajectory RS7913 Fig2 MEP.png No edit summary current
14:4114:41, 12 May 2017 diff hist −470 MRD:RS7913 →Reactive and unreactive trajectories from initial positions r1 = 0.74 and r2 = 2.0 Tag: Visual edit
14:3814:38, 12 May 2017 diff hist +981 MRD:RS7913 →Trajectories from r1 = rts+0.01, r2 = rts Tag: Visual edit
14:3714:37, 12 May 2017 diff hist +1,236 MRD:RS7913 →The transition state Tag: Visual edit

12:0912:09, 11 May 2017 diff hist −9 MRD:RS7913 No edit summary
12:0812:08, 11 May 2017 diff hist +41 N File:RS7913 TS Internuclear distances 2211.png RS7913_TS_Internuclear_distances_2211.png current
12:0312:03, 11 May 2017 diff hist 0 File:Screen Shot 2017-05-11 at 12.59.52.png Rs7913 uploaded a new version of File:Screen Shot 2017-05-11 at 12.59.52.png current
12:0012:00, 11 May 2017 diff hist 0 N File:Screen Shot 2017-05-11 at 12.59.52.png No edit summary

15:5615:56, 9 May 2017 diff hist +339 MRD:RS7913 →Trajectories from r1 = r2: locating the transition state Tag: Visual edit
15:2815:28, 9 May 2017 diff hist 0 N File:Transition state internuclear distances RS7913.PNG No edit summary current
15:0815:08, 9 May 2017 diff hist +651 MRD:RS7913 No edit summary Tag: Visual edit
14:5214:52, 9 May 2017 diff hist +218 MRD:RS7913 No edit summary Tag: Visual edit
14:4814:48, 9 May 2017 diff hist +226 N MRD:RS7913 Created page with "At a minimum and at a transition state, the total gradient of the potential energy surface is zero, i.e. ∂V(ri)/∂ri=0 One can therefore distinguish minima and transition..."

12:3912:39, 12 March 2016 diff hist −2 Rep:Mod:RS7913 →Frequency Analysis
12:3512:35, 12 March 2016 diff hist +84 Rep:Mod:RS7913 →"Display Vibrations"
12:3412:34, 12 March 2016 diff hist −8 Rep:Mod:RS7913 →Visualisation Of The Optimised SiH4 Molecule
12:3412:34, 12 March 2016 diff hist +8 Rep:Mod:RS7913 →Visualisation Of The Optimised SiH4 Molecule
12:3412:34, 12 March 2016 diff hist +11 Rep:Mod:RS7913 →Frequency Analysis
12:3312:33, 12 March 2016 diff hist +74 Rep:Mod:RS7913 →Frequency Analysis
12:3112:31, 12 March 2016 diff hist +56 Rep:Mod:RS7913 →Molecular Orbitals
12:3112:31, 12 March 2016 diff hist +2 Rep:Mod:RS7913 →Molecular Orbitals
12:3112:31, 12 March 2016 diff hist +45 Rep:Mod:RS7913 →Molecular Orbitals
12:2912:29, 12 March 2016 diff hist −40 Rep:Mod:RS7913 →Molecular Orbitals
12:2912:29, 12 March 2016 diff hist 0 Rep:Mod:RS7913 No edit summary
12:2712:27, 12 March 2016 diff hist +3,710 Rep:Mod:RS1111 No edit summary
12:2512:25, 12 March 2016 diff hist +231 Rep:Mod:RS1111 →NH3 Tag: Visual edit
12:2212:22, 12 March 2016 diff hist +754 N Rep:Mod:RS1111 Created page with " === NH<sub>3</sub> === An optimisation was run on an NH<sub>3</sub> molecule created using GaussView, with modified bond lengths of 1.3 Å, using Gaussian. Calculation me..."
12:2112:21, 12 March 2016 diff hist −99 Rep:Mod:RS7913 →Molecular Orbitals
12:2012:20, 12 March 2016 diff hist +99 Rep:Mod:RS7913 →Molecular Orbitals
12:1712:17, 12 March 2016 diff hist +471 Rep:Mod:RS7913 →Molecular Orbitals
12:1112:11, 12 March 2016 diff hist +48 Rep:Mod:RS7913 →Molecular Orbitals
12:1012:10, 12 March 2016 diff hist +6 Rep:Mod:RS7913 →Molecular Orbitals
12:0612:06, 12 March 2016 diff hist 0 File:RS7913 MO1 SiH4.png Rs7913 uploaded a new version of File:RS7913 MO1 SiH4.png current
12:0412:04, 12 March 2016 diff hist 0 File:RS7913 MO1 SiH4.png Rs7913 uploaded a new version of File:RS7913 MO1 SiH4.png
12:0012:00, 12 March 2016 diff hist +30 Rep:Mod:RS7913 →Molecular Orbitals

14:0914:09, 11 March 2016 diff hist +258 Rep:Mod:RS7913 No edit summary
14:0814:08, 11 March 2016 diff hist 0 N File:RS7913 FullSizeRender.jpg No edit summary current
14:0714:07, 11 March 2016 diff hist 0 N File:RS7913 IMG 0860 copy.jpg No edit summary current
14:0614:06, 11 March 2016 diff hist 0 N File:IMG 0860 copy.jpg No edit summary current
14:0314:03, 11 March 2016 diff hist 0 N File:RS7913 MO13 SiH4.png No edit summary current
14:0314:03, 11 March 2016 diff hist 0 N File:RS7913 MO10,11,12 SiH4.png No edit summary current
14:0214:02, 11 March 2016 diff hist 0 N File:RS7913 MO7,8,9 SiH4.png No edit summary current
14:0114:01, 11 March 2016 diff hist 0 N File:RS7913 MO6 SiH4.png No edit summary current
14:0114:01, 11 March 2016 diff hist 0 N File:RS7913 MO3,4,5 SiH4.png No edit summary current
14:0014:00, 11 March 2016 diff hist 0 N File:RS7913 MO2 SiH4.png No edit summary current
14:0014:00, 11 March 2016 diff hist 0 N File:RS7913 MO1 SiH4.png No edit summary
13:5813:58, 11 March 2016 diff hist +38 Rep:Mod:RS7913 →Molecular Orbitals
13:5613:56, 11 March 2016 diff hist +1 Rep:Mod:RS7913 →Optimisation Of A H2 Molecule

12 May 2017

11 May 2017

9 May 2017

12 March 2016

11 March 2016