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User contributions for Ss11012

Results for Ss11012 talk block log uploads logs

A user with 547 edits. Account created on 14 November 2014.

18:5918:59, 18 November 2014 diff hist +293 Rep:Mod:ss11012complab →B3LYP/6-31G(d,p) Frequency analysis
18:5818:58, 18 November 2014 diff hist 0 N File:Sg ammonia ir.jpg No edit summary current
18:5318:53, 18 November 2014 diff hist +263 Rep:Mod:ss11012complab →B3LYP/6-31G(d,p) Frequency analysis
18:5118:51, 18 November 2014 diff hist 0 N File:Sg ammonia freqoutput.jpg No edit summary current
18:4618:46, 18 November 2014 diff hist +22 Rep:Mod:ss11012complab →B3LYP/6-31G(d,p) Frequency analysis
18:3118:31, 18 November 2014 diff hist +43 Rep:Mod:ss11012complab →B3LYP/6-31G(d,p) Optimisation
18:3018:30, 18 November 2014 diff hist +748 Rep:Mod:ss11012complab →B3LYP/6-31G(d,p) Optimisation
18:2518:25, 18 November 2014 diff hist 0 N File:Sg ammonia optimise.mol No edit summary current
18:2518:25, 18 November 2014 diff hist 0 N File:Sg ammonia optimise.log No edit summary current
18:2518:25, 18 November 2014 diff hist 0 N File:Sg nh3 optsummary.jpg No edit summary current
18:2018:20, 18 November 2014 diff hist +22 Rep:Mod:ss11012complab →B3LYP/6-31G(d,p) Optimisation
18:1418:14, 18 November 2014 diff hist +37 Rep:Mod:ss11012complab →NH3
16:4416:44, 18 November 2014 diff hist +20 Rep:Mod:ss11012complab →Questions
16:4016:40, 18 November 2014 diff hist +134 Rep:Mod:ss11012complab →LCAO vs Computed MOs
16:3716:37, 18 November 2014 diff hist +30 Rep:Mod:ss11012complab →LCAO vs Computed MOs
16:3716:37, 18 November 2014 diff hist 0 N File:Sglcaovgaussbh3.jpg No edit summary current
16:1416:14, 18 November 2014 diff hist +45 Rep:Mod:ss11012complab →Molecular Orbitals of BH3
16:1116:11, 18 November 2014 diff hist +29 Rep:Mod:ss11012complab →LCAO of BH3
16:1016:10, 18 November 2014 diff hist +54 Rep:Mod:ss11012complab →Molecular Orbitals of BH3
16:1016:10, 18 November 2014 diff hist 0 N File:Sglcaobh3.jpg No edit summary current
13:1913:19, 18 November 2014 diff hist +22 Rep:Mod:ss11012complab →Molecular Orbitals of BH3
11:1511:15, 18 November 2014 diff hist +42 Rep:Mod:ss11012complab →Questions
11:1211:12, 18 November 2014 diff hist +4 Rep:Mod:ss11012complab →Vibrational spectrum of BH3
11:1211:12, 18 November 2014 diff hist +2 Rep:Mod:ss11012complab →Questions
11:1211:12, 18 November 2014 diff hist +332 Rep:Mod:ss11012complab →GaBr3 Frequency calculation
11:0511:05, 18 November 2014 diff hist −2 Rep:Mod:ss11012complab →B3LYP/LANL2DZ level
10:5510:55, 18 November 2014 diff hist 0 N File:Sg GaBr3 freqsum.jpg No edit summary current
10:5510:55, 18 November 2014 diff hist 0 N File:Sg GaBr3 irspectrum.jpg No edit summary current
10:5110:51, 18 November 2014 diff hist +1 Rep:Mod:ss11012complab →B3LYP/LANL2DZ level
10:4810:48, 18 November 2014 diff hist 0 Rep:Mod:ss11012complab →B3LYP/LANL2DZ level
10:4410:44, 18 November 2014 diff hist +591 Rep:Mod:ss11012complab →B3LYP/LANL2DZ level
10:4310:43, 18 November 2014 diff hist −3 Rep:Mod:ss11012complab →B3LYP/6-31G(d,p) level
10:4210:42, 18 November 2014 diff hist +73 Rep:Mod:ss11012complab →BH3 Frequency calculations

16:0516:05, 17 November 2014 diff hist +406 Rep:Mod:ss11012complab →Structure comparison - Day 2 Section's Questions
16:0216:02, 17 November 2014 diff hist −69 Rep:Mod:ss11012complab →What definition would you choose for the existence of a bond?
16:0116:01, 17 November 2014 diff hist +4 Rep:Mod:ss11012complab →Structure comparison-Day Section's Questions
16:0116:01, 17 November 2014 diff hist −14 Rep:Mod:ss11012complab →Questions from end of Day 2 Section - Structure comparison
16:0016:00, 17 November 2014 diff hist +64 Rep:Mod:ss11012complab →BBr3 Optimisation
15:5315:53, 17 November 2014 diff hist +6 Rep:Mod:ss11012complab →Geometry info - bond angles and distances
15:4915:49, 17 November 2014 diff hist +693 Rep:Mod:ss11012complab →BBr3 Optimisation
15:4515:45, 17 November 2014 diff hist 0 N File:Sg bbr3 optimisation.mol No edit summary current
15:4415:44, 17 November 2014 diff hist 0 N File:Sg bbr3 opt.jpg No edit summary current
15:1115:11, 17 November 2014 diff hist +34 Rep:Mod:ss11012complab →GaBr3 Optimisation
15:0815:08, 17 November 2014 diff hist 0 File:Sg GaBr3 pp optimisation.jpg Ss11012 uploaded a new version of "File:Sg GaBr3 pp optimisation.jpg" current
15:0515:05, 17 November 2014 diff hist +2 Rep:Mod:ss11012complab →B3LYP/LANL2DZ level
15:0415:04, 17 November 2014 diff hist +664 Rep:Mod:ss11012complab →B3LYP/LANL2DZ level
14:5614:56, 17 November 2014 diff hist 0 N File:Ssg GaBr3 pp opt.mol No edit summary current
14:5314:53, 17 November 2014 diff hist 0 N File:Sg GaBr3 pp optimisation.jpg No edit summary
14:5214:52, 17 November 2014 diff hist +6 Rep:Mod:ss11012complab →Geometry info - bond angles and distances

05:0805:08, 16 November 2014 diff hist 0 Rep:Mod:ss11012complab →Vibrational spectrum of BH3

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