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User contributions for Wt1110

Results for Wt1110 talk block log uploads logs

A user with 567 edits. Account created on 15 October 2010.

20:3820:38, 13 October 2012 diff hist +24 Rep:Mod:62367968 →BH3vibrational analysis
20:3720:37, 13 October 2012 diff hist +42 Rep:Mod:62367968 →Frequency analysis
19:3019:30, 13 October 2012 diff hist +10 Rep:Mod:62367968 →BBr3 - optimisation using a mixture of basis sets and pseudo potentials
19:2219:22, 13 October 2012 diff hist −1,991 Rep:Mod:62367968 →Frequency analysis
19:2119:21, 13 October 2012 diff hist +2 Rep:Mod:62367968 No edit summary
19:2019:20, 13 October 2012 diff hist +85 Rep:Mod:62367968 →Comparison of bond distances
19:2019:20, 13 October 2012 diff hist +41 Rep:Mod:62367968 →Comparison of bond distances
19:1719:17, 13 October 2012 diff hist −89 Rep:Mod:62367968 →BBr3 - optimisation using a mixture of basis sets and pseudo potentials
19:1719:17, 13 October 2012 diff hist +84 Rep:Mod:62367968 No edit summary
19:1719:17, 13 October 2012 diff hist 0 N File:BBR3 OPTMIXEDD3H.mol No edit summary current
19:1619:16, 13 October 2012 diff hist +188 Rep:Mod:62367968 No edit summary
19:1519:15, 13 October 2012 diff hist 0 N File:BBR3 OPTMIXEDD3H.LOG No edit summary current
19:1419:14, 13 October 2012 diff hist 0 File:Bbr3optmixed.PNG uploaded a new version of "File:Bbr3optmixed.PNG" current
19:1119:11, 13 October 2012 diff hist +78 Rep:Mod:62367968 →BBr3
19:1119:11, 13 October 2012 diff hist +10 Rep:Mod:62367968 →TlBr3 - optimisations using pseudo-potentials (LanL2DZ)
19:1019:10, 13 October 2012 diff hist +25 Rep:Mod:62367968 →BBr3
19:0919:09, 13 October 2012 diff hist +5 Rep:Mod:62367968 →TlBr3 - optimisations using pseudo-potentials (LanL2DZ)
19:0919:09, 13 October 2012 diff hist +2 Rep:Mod:62367968 →TlBr3 - optimisations using pseudo-potentials (LanL2DZ)
19:0719:07, 13 October 2012 diff hist +75 Rep:Mod:62367968 No edit summary
19:0219:02, 13 October 2012 diff hist +98 Rep:Mod:62367968 No edit summary
19:0119:01, 13 October 2012 diff hist 0 N File:TLBR3 OPTIMISATION I.LOG No edit summary current
19:0119:01, 13 October 2012 diff hist −1,446 Rep:Mod:62367968 →BBr3
19:0019:00, 13 October 2012 diff hist −214 Rep:Mod:62367968 →graphs
19:0019:00, 13 October 2012 diff hist −1,214 Rep:Mod:62367968 →TlBr3 - optimisations using pseudo-potentials (LanL2DZ)
19:0019:00, 13 October 2012 diff hist +10 Rep:Mod:62367968 →TlBr3 - optimisations using pseudo-potentials
18:5918:59, 13 October 2012 diff hist +21 Rep:Mod:62367968 →TlBr3
18:5818:58, 13 October 2012 diff hist +9 Rep:Mod:62367968 →Total energies of BH3 optimisations
18:5818:58, 13 October 2012 diff hist +40 Rep:Mod:62367968 →isht to do
18:5518:55, 13 October 2012 diff hist −45 Rep:Mod:62367968 →BH3 - B3LYP, 6-31G d,p optimisation
18:5518:55, 13 October 2012 diff hist −6 Rep:Mod:62367968 →BH3 - B3LYP, 3-21G optimisation
18:5418:54, 13 October 2012 diff hist −1 Rep:Mod:62367968 →BH3 - B3LYP, 3-21G optimisation
18:5418:54, 13 October 2012 diff hist −28 Rep:Mod:62367968 →BH3 - B3LYP, 3-21G optimisation
18:5418:54, 13 October 2012 diff hist −104 Rep:Mod:62367968 →log check
18:5318:53, 13 October 2012 diff hist +58 Rep:Mod:62367968 No edit summary
18:5218:52, 13 October 2012 diff hist 0 N File:BH3 OPTIMISATION 631G DP2.LOG No edit summary current
18:4918:49, 13 October 2012 diff hist +5 Rep:Mod:62367968 →BH3 - B3LYP, 3-21G optimisation
18:4918:49, 13 October 2012 diff hist +35 Rep:Mod:62367968 →B3LYP, 6-31G d,p optimisation
18:4818:48, 13 October 2012 diff hist −9 Rep:Mod:62367968 →Optimisation of a molecule
18:4718:47, 13 October 2012 diff hist −1 Rep:Mod:62367968 →BH3 - B3LYP, 3-21G optimisation
18:4718:47, 13 October 2012 diff hist 0 Rep:Mod:62367968 →Optimisation of a molecule
18:4618:46, 13 October 2012 diff hist +1 Rep:Mod:62367968 →Optimisation of a molecule
18:4618:46, 13 October 2012 diff hist +1 Rep:Mod:62367968 →BH3 - B3LYP, 3-21G optimisation
18:4618:46, 13 October 2012 diff hist −31 Rep:Mod:62367968 No edit summary
18:4418:44, 13 October 2012 diff hist 0 File:BH3 OPTIMISATION.LOG uploaded a new version of "File:BH3 OPTIMISATION.LOG"
18:4218:42, 13 October 2012 diff hist +7 Rep:Mod:62367968 →B3LYP, 3-21G optimisation
18:4218:42, 13 October 2012 diff hist +6 Rep:Mod:62367968 →BH3
18:4118:41, 13 October 2012 diff hist 0 Rep:Mod:62367968 No edit summary
18:4018:40, 13 October 2012 diff hist +2 Rep:Mod:62367968 →B3LYP, 3-21G optimisation
18:4018:40, 13 October 2012 diff hist +14 Rep:Mod:62367968 →Optimisation of a molecule
18:3518:35, 13 October 2012 diff hist −202 Rep:Mod:62367968 →graphs

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