User contributions for Mc1210

22 January 2013

• 01:0501:05, 22 January 2013 diff hist 0 File:TIBR3 OPTIMISATION.LOG uploaded a new version of "File:TIBR3 OPTIMISATION.LOG" current
• 01:0401:04, 22 January 2013 diff hist 0 N File:TIBr3 optimisation.JPG No edit summary current
• 00:4200:42, 22 January 2013 diff hist −2 Rep:Mod:AN910105 →Optimisation of TIBr3
• 00:4100:41, 22 January 2013 diff hist +33 Rep:Mod:AN910105 No edit summary
• 00:4000:40, 22 January 2013 diff hist −1 Rep:Mod:AN910105 No edit summary
• 00:4000:40, 22 January 2013 diff hist +2 Rep:Mod:AN910105 No edit summary
• 00:3900:39, 22 January 2013 diff hist +1 Rep:Mod:AN910105 No edit summary
• 00:3800:38, 22 January 2013 diff hist −2 Rep:Mod:AN910105 No edit summary
• 00:3800:38, 22 January 2013 diff hist +37 Rep:Mod:AN910105 No edit summary
• 00:2700:27, 22 January 2013 diff hist +345 Rep:Mod:AN910105 No edit summary
• 00:1800:18, 22 January 2013 diff hist +3 Rep:Mod:AN910105 →BH3 Optimisation(Calculation Method: RB3LYP,Basis Set:6-31G(d,p))
• 00:1700:17, 22 January 2013 diff hist +332 Rep:Mod:AN910105 →Optimisation
• 00:0700:07, 22 January 2013 diff hist 0 Rep:Mod:AN910105 →BH3 Optimisation(Calculation Method: RB3LYP,Basis Set:6-31G(d,p))

21 January 2013

• 23:4523:45, 21 January 2013 diff hist +281 Rep:Mod:AN910105 No edit summary
• 23:3923:39, 21 January 2013 diff hist +1,649 Rep:Mod:AN910105 No edit summary
• 23:3423:34, 21 January 2013 diff hist +158 Rep:Mod:AN910105 No edit summary
• 23:3123:31, 21 January 2013 diff hist 0 N File:BH3 6-31G after.jpg No edit summary current
• 23:3123:31, 21 January 2013 diff hist +17 Rep:Mod:AN910105 →BH3 Optimisation(Calculation Method: RB3LYP,Basis Set:3-21G)
• 23:2823:28, 21 January 2013 diff hist −1 Rep:Mod:AN910105 →BH3 Optimisation(Calculation Method: RB3LYP,Basis Set:3-21G)
• 23:2723:27, 21 January 2013 diff hist +691 Rep:Mod:AN910105 No edit summary
• 23:2123:21, 21 January 2013 diff hist +30 Rep:Mod:AN910105 No edit summary
• 23:1923:19, 21 January 2013 diff hist 0 N File:BH3 6-31G BEFORE.LOG No edit summary current
• 23:1623:16, 21 January 2013 diff hist +213 Rep:Mod:AN910105 No edit summary
• 22:1322:13, 21 January 2013 diff hist +1 Rep:Mod:AN910105 →BH3 Optimisation(Calculation Method: RB3LYP,Basis Set:3-21G)
• 22:1222:12, 21 January 2013 diff hist +71 Rep:Mod:AN910105 →BH3 Optimisation(Calculation Method: RB3LYP,Basis Set:3-21G)
• 22:0622:06, 21 January 2013 diff hist +119 Rep:Mod:AN910105 →BH3 Optimisation(Calculation Method: RB3LYP,Basis Set:3-21G)
• 22:0422:04, 21 January 2013 diff hist −317 Rep:Mod:AN910105 No edit summary
• 22:0322:03, 21 January 2013 diff hist +417 Rep:Mod:AN910105 No edit summary
• 21:5921:59, 21 January 2013 diff hist 0 N File:BH3 optimisation(1.gif No edit summary current
• 21:5221:52, 21 January 2013 diff hist +560 Rep:Mod:AN910105 No edit summary
• 21:3521:35, 21 January 2013 diff hist 0 N File:RMS gradient bh3 optimisation(2).JPG No edit summary current
• 21:3121:31, 21 January 2013 diff hist +49 Rep:Mod:AN910105 No edit summary
• 21:3021:30, 21 January 2013 diff hist 0 N File:Total energy of bh3 optimisation(1).JPG No edit summary current
• 21:2921:29, 21 January 2013 diff hist +198 Rep:Mod:AN910105 →BH3 Optimisation(Calculation Method: RB3LYP,Basis Set:3-21G)
• 19:4919:49, 21 January 2013 diff hist +44 Rep:Mod:AN910105 →BH3 Optimisation
• 17:4917:49, 21 January 2013 diff hist −23 Rep:Mod:AN910105 No edit summary
• 17:4817:48, 21 January 2013 diff hist +6 Rep:Mod:AN910105 No edit summary
• 17:4717:47, 21 January 2013 diff hist +1 Rep:Mod:AN910105 No edit summary
• 17:4517:45, 21 January 2013 diff hist −2 Rep:Mod:AN910105 No edit summary
• 17:4417:44, 21 January 2013 diff hist +1 Rep:Mod:AN910105 No edit summary
• 17:4417:44, 21 January 2013 diff hist +222 Rep:Mod:AN910105 No edit summary
• 17:3417:34, 21 January 2013 diff hist −6 Rep:Mod:AN910105 No edit summary
• 17:3317:33, 21 January 2013 diff hist +121 Rep:Mod:AN910105 No edit summary
• 17:3217:32, 21 January 2013 diff hist 0 N File:BH3 after optimisation.jpg No edit summary current
• 17:3017:30, 21 January 2013 diff hist +16 Rep:Mod:AN910105 No edit summary
• 17:2617:26, 21 January 2013 diff hist +65 Rep:Mod:AN910105 No edit summary
• 17:2417:24, 21 January 2013 diff hist 0 N File:BH3 before optimisation.jpg No edit summary current
• 17:0817:08, 21 January 2013 diff hist +37 Rep:Mod:AN910105 No edit summary
• 17:0017:00, 21 January 2013 diff hist 0 N File:BH3 before optimisation.gjf No edit summary current
• 16:5816:58, 21 January 2013 diff hist +101 Rep:Mod:AN910105 No edit summary