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User contributions for Vhc08

Results for Vhc08 talk block log uploads logs

A user with 135 edits. Account created on 15 June 2012.

18:3218:32, 29 July 2013 diff hist +4,091 Talk:Mod:Hunt Research Group/QMMM OPT Aqeuous Cu(II) No edit summary
18:3018:30, 29 July 2013 diff hist −1 Talk:Mod:Hunt Research Group/QMMM SP Aqeuous Cu(II) No edit summary
18:3018:30, 29 July 2013 diff hist −4 Talk:Mod:Hunt Research Group/QMMM SP Aqeuous Cu(II) No edit summary
18:3018:30, 29 July 2013 diff hist −40,932 Talk:Mod:Hunt Research Group/QMMM SP Aqeuous Cu(II) No edit summary
18:2918:29, 29 July 2013 diff hist +41,304 Talk:Mod:Hunt Research Group/QMMM SP Aqeuous Cu(II) No edit summary
18:2718:27, 29 July 2013 diff hist −36 Talk:Mod:Hunt Research Group/QMMM OPT Aqeuous Cu(II) No edit summary
18:2318:23, 29 July 2013 diff hist −1,239 Talk:Mod:Hunt Research Group/QMMM SP Aqeuous Cu(II) No edit summary
18:2118:21, 29 July 2013 diff hist +136 Talk:Mod:Hunt Research Group/ChemShell Force Field Parameters Aqueous Cu(II) No edit summary
18:1718:17, 29 July 2013 diff hist −5 Talk:Mod:Hunt Research Group/ChemShell Force Field Parameters Aqueous Cu(II) No edit summary
18:1618:16, 29 July 2013 diff hist +1,086 N Talk:Mod:Hunt Research Group/ChemShell Force Field Parameters Aqueous Cu(II) Created page with " <pre> read_input ff.dat { vdw cu cu 62.99111 19858.39 vdw cu o 204.1966 118331.2 vdw cu h 0.000000 0.000000 vdw o o 626.00 630437.34 vdw o h 0.0000 0.000 vdw h h 0.00..."
18:1318:13, 29 July 2013 diff hist −52 Talk:Mod:Hunt Research Group/QMMM SP Aqeuous Cu(II) No edit summary
18:0718:07, 29 July 2013 diff hist +460 Talk:Mod:Hunt Research Group/QMMM SP Aqeuous Cu(II) No edit summary
17:4617:46, 29 July 2013 diff hist −9 Talk:Mod:Hunt Research Group/QMMM SP Aqeuous Cu(II) No edit summary
16:3516:35, 29 July 2013 diff hist +186 Mod:Hunt Research Group →Running QM/MM Simulations in ChemShell
16:3216:32, 29 July 2013 diff hist +68 Talk:Mod:Hunt Research Group/ChemShell System Aqeuous Cu(II) No edit summary
16:2916:29, 29 July 2013 diff hist +11 Talk:Mod:Hunt Research Group/ChemShell System Aqeuous Cu(II) No edit summary
16:2816:28, 29 July 2013 diff hist +37 Talk:Mod:Hunt Research Group/ChemShell System Aqeuous Cu(II) No edit summary
16:2416:24, 29 July 2013 diff hist +360 Talk:Mod:Hunt Research Group/ChemShell System Aqeuous Cu(II) No edit summary
16:1616:16, 29 July 2013 diff hist −48 Talk:Mod:Hunt Research Group/QMMM MD Aqeuous Cu(II) No edit summary
16:1516:15, 29 July 2013 diff hist +1,287 N Talk:Mod:Hunt Research Group/QMMM MD Aqeuous Cu(II) Created page with "This input runs a 1 ps (timestep = 0.001 ps) QM/MM molecular dynamics simulation of an [https://wiki.ch.ic.ac.uk/wiki/index.php?title=Talk:Mod:Hunt_Research_Group/ChemShell_Syste..."
15:5415:54, 29 July 2013 diff hist +157 Mod:Hunt Research Group →Running QM/MM Simulations in ChemShell
15:5315:53, 29 July 2013 diff hist +1,257 N Talk:Mod:Hunt Research Group/QMMM OPT Aqeuous Cu(II) Created page with "This input block contains the code required to run a QM/MM geometry optimisation on our aqueous copper(II) system: <pre> newopt function = copt : { coords=cu_18water.pun ..."
15:0015:00, 29 July 2013 diff hist +95 Mod:Hunt Research Group →Running QM/MM Simulations in ChemShell
14:5914:59, 29 July 2013 diff hist +130 Mod:Hunt Research Group →Running QM/MM Simulations in ChemShell
14:5914:59, 29 July 2013 diff hist +75 Mod:Hunt Research Group →Running QM/MM Simulations in ChemShell
14:5814:58, 29 July 2013 diff hist +174 Talk:Mod:Hunt Research Group/QMMM SP Aqeuous Cu(II) No edit summary
14:3714:37, 29 July 2013 diff hist −2,225 Talk:Mod:Hunt Research Group/QMMM SP Aqeuous Cu(II) No edit summary
14:2614:26, 29 July 2013 diff hist +2,598 N Talk:Mod:Hunt Research Group/ChemShell System Aqeuous Cu(II) Created page with "This system of copper(II) and its first 2 solvation shells (18 waters in total) was taken from a DL_POLY MD snap shot of copper(II) and 200 waters. The following ChemShell input..."
13:4813:48, 29 July 2013 diff hist −1 Mod:Hunt Research Group →Running QM/MM Simulations in ChemShell
13:4713:47, 29 July 2013 diff hist +186 Mod:Hunt Research Group →Running QM/MM Simulations in ChemShell
13:4213:42, 29 July 2013 diff hist −12 Talk:Mod:Hunt Research Group/QMMM SP Aqeuous Cu(II) →QM/MM Single Point Energy Calculation of Cu(II) and 2 Solvation Shells
13:4113:41, 29 July 2013 diff hist +1,237 Talk:Mod:Hunt Research Group/QMMM SP Aqeuous Cu(II) No edit summary
12:4012:40, 29 July 2013 diff hist −1 Talk:Mod:Hunt Research Group/QMMM SP Aqeuous Cu(II) →QM/MM Single Point Energy Calculation of Cu(II) and 2 Solvation Shells
12:3912:39, 29 July 2013 diff hist −115 Talk:Mod:Hunt Research Group/QMMM SP Aqeuous Cu(II) No edit summary
12:3912:39, 29 July 2013 diff hist +80 Talk:Mod:Hunt Research Group/QMMM SP Aqeuous Cu(II) No edit summary
12:3712:37, 29 July 2013 diff hist +3,436 N Talk:Mod:Hunt Research Group/QMMM SP Aqeuous Cu(II) Created page with "This page contains a simple QM/MM single point energy example. The system is a copper(II) ion and its first two solvation shells. The first solvation shell is modelled at the B3L..."
12:1112:11, 29 July 2013 diff hist +195 Mod:Hunt Research Group →Running QM/MM Simulations in ChemShell
11:5711:57, 29 July 2013 diff hist +170 Mod:Hunt Research Group →Hunt Group Wiki

16:3116:31, 12 June 2013 diff hist 0 Mod:Hunt Research Group/calendar No edit summary
16:3016:30, 12 June 2013 diff hist +194 Mod:Hunt Research Group/calendar No edit summary

10:5710:57, 18 March 2013 diff hist −4 Mod:Hunt Research Group/calendar No edit summary
10:5610:56, 18 March 2013 diff hist +123 Mod:Hunt Research Group/calendar No edit summary

15:0715:07, 3 January 2013 diff hist +717 Talk:Mod:Hunt Research Group/angular schrodinger No edit summary current
11:3111:31, 3 January 2013 diff hist 0 N File:Spherical polars.png No edit summary current
11:0511:05, 3 January 2013 diff hist +109 N Talk:Mod:Hunt Research Group/angular schrodinger Created page with "The Schrödinger equation for a general system is <math>-frac{\hbar}{2\mu}\nable^2\Psi - V\Psi = E\Psi</math>"
11:0211:02, 3 January 2013 diff hist +2 Mod:Hunt Research Group →Research Notes
11:0111:01, 3 January 2013 diff hist +194 Mod:Hunt Research Group No edit summary

10:3310:33, 20 November 2012 diff hist +160 Mod:Hunt Research Group/calendar No edit summary
10:3210:32, 20 November 2012 diff hist −4 Mod:Hunt Research Group/calendar →Calendar

12:3312:33, 15 June 2012 diff hist −4 Mod:Hunt Research Group/calendar No edit summary

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