User contributions for Ecm10

15 November 2012

• 14:1914:19, 15 November 2012 diff hist +88 Rep:Mod:3080ecm10mod2 →BH3 Initial Optimisation
• 14:1114:11, 15 November 2012 diff hist +30 Rep:Mod:3080ecm10mod2 →Molecule Optimisation
• 14:0914:09, 15 November 2012 diff hist 0 N File:BH3 3-21G gradient plot.jpg No edit summary current
• 14:0814:08, 15 November 2012 diff hist 0 N File:BH3 3-21G total energy plot.jpg No edit summary current
• 00:2900:29, 15 November 2012 diff hist −10 Rep:Mod:3080ecm10mod2 →BBr3 Optimisation using a Mixture of Basis Sets and Pseudo-Potentials
• 00:2700:27, 15 November 2012 diff hist +11 Rep:Mod:3080ecm10mod2 →BBr3 Optimisation using a Mixture of Basis Sets and Pseudo-Potentials
• 00:2300:23, 15 November 2012 diff hist +37 Rep:Mod:3080ecm10mod2 →Summary for Optimisation Data
• 00:1700:17, 15 November 2012 diff hist +789 Rep:Mod:3080ecm10mod2 No edit summary
• 00:0400:04, 15 November 2012 diff hist +40 Rep:Mod:3080ecm10mod2 →BH3 Initial Optimisation
• 00:0200:02, 15 November 2012 diff hist +38 Rep:Mod:3080ecm10mod2 →BH3 Improved Optimisation

14 November 2012

• 23:5923:59, 14 November 2012 diff hist −1 Rep:Mod:3080ecm10mod2 →BH3 Initial Optimisation
• 23:5923:59, 14 November 2012 diff hist +6 Rep:Mod:3080ecm10mod2 No edit summary
• 23:5723:57, 14 November 2012 diff hist +24 Rep:Mod:3080ecm10mod2 No edit summary
• 23:5123:51, 14 November 2012 diff hist −7 Rep:Mod:3080ecm10mod2 No edit summary
• 23:4123:41, 14 November 2012 diff hist +1,780 Rep:Mod:3080ecm10mod2 No edit summary
• 22:5622:56, 14 November 2012 diff hist +9 Rep:Mod:3080ecm10mod2 →TlBr3 Improved Optimisation using Pseudo-Potentials
• 22:5522:55, 14 November 2012 diff hist +111 Rep:Mod:3080ecm10mod2 →BH3 : Improved Optimisation
• 22:5122:51, 14 November 2012 diff hist +47 Rep:Mod:3080ecm10mod2 No edit summary
• 22:4922:49, 14 November 2012 diff hist +1,119 Rep:Mod:3080ecm10mod2 No edit summary
• 22:2922:29, 14 November 2012 diff hist +106 Rep:Mod:3080ecm10mod2 →Molecule Optimisation
• 22:2722:27, 14 November 2012 diff hist −19 Rep:Mod:3080ecm10mod2 No edit summary
• 22:2622:26, 14 November 2012 diff hist +15 Rep:Mod:3080ecm10mod2 No edit summary
• 22:2322:23, 14 November 2012 diff hist −11 Rep:Mod:3080ecm10mod2 →Computational Laboratory 2012 - Bonding and Molecular Orbitals in Main Group Chemistry
• 22:2222:22, 14 November 2012 diff hist +495 Rep:Mod:3080ecm10mod2 No edit summary
• 21:5621:56, 14 November 2012 diff hist +1,744 Rep:Mod:3080ecm10mod2 →Molecule Optimisation
• 21:4421:44, 14 November 2012 diff hist +18 Rep:Mod:3080ecm10mod2 →Molecule Optimisation
• 21:4321:43, 14 November 2012 diff hist +464 Rep:Mod:3080ecm10mod2 No edit summary
• 21:3121:31, 14 November 2012 diff hist +4 Rep:Mod:3080ecm10mod2 →Molecule Optimisation
• 21:3021:30, 14 November 2012 diff hist −2 Rep:Mod:3080ecm10mod2 →Introduction

13 November 2012

• 21:5221:52, 13 November 2012 diff hist +1 Rep:Mod:3080ecm10mod2 →Molecule Optimisation
• 21:5121:51, 13 November 2012 diff hist +120 Rep:Mod:3080ecm10mod2 →Molecule Optimisation
• 21:3321:33, 13 November 2012 diff hist −3 Rep:Mod:3080ecm10mod2 →Molecule Optimisation
• 21:3321:33, 13 November 2012 diff hist +43 Rep:Mod:3080ecm10mod2 →Molecule Optimisation
• 21:2921:29, 13 November 2012 diff hist +1,528 Rep:Mod:3080ecm10mod2 No edit summary
• 21:2021:20, 13 November 2012 diff hist +11 Rep:Mod:3080ecm10mod2 →Molecule Optimisation
• 21:0721:07, 13 November 2012 diff hist +701 Rep:Mod:3080ecm10mod2 No edit summary
• 20:5420:54, 13 November 2012 diff hist +5 Rep:Mod:3080ecm10mod2 No edit summary
• 20:5220:52, 13 November 2012 diff hist +214 Rep:Mod:3080ecm10mod2 No edit summary
• 20:4620:46, 13 November 2012 diff hist −113 Rep:Mod:3080ecm10mod2 No edit summary
• 20:4420:44, 13 November 2012 diff hist −98 Rep:Mod:3080ecm10mod2 No edit summary
• 20:3420:34, 13 November 2012 diff hist +131 Rep:Mod:3080ecm10mod2 No edit summary
• 20:2520:25, 13 November 2012 diff hist +220 Rep:Mod:3080ecm10mod2 No edit summary
• 19:5919:59, 13 November 2012 diff hist +6 Rep:Mod:3080ecm10mod2 No edit summary
• 14:0014:00, 13 November 2012 diff hist −131 Rep:Mod:3080ecm10mod2 No edit summary
• 13:5513:55, 13 November 2012 diff hist +100 Rep:Mod:3080ecm10mod2 No edit summary
• 13:5313:53, 13 November 2012 diff hist +26 Rep:Mod:3080ecm10mod2 No edit summary
• 13:4813:48, 13 November 2012 diff hist +1 Rep:Mod:3080ecm10mod2 No edit summary
• 13:4513:45, 13 November 2012 diff hist +10 Rep:Mod:3080ecm10mod2 No edit summary

12 November 2012

• 17:2917:29, 12 November 2012 diff hist +1,694 Rep:Mod:3080ecm10mod2 No edit summary
• 16:1716:17, 12 November 2012 diff hist +820 N Rep:Mod:3080ecm10mod2 Created page with " == '''Computational Laboratory 2012 - Bonding and Molecular Orbitals in Main Group Chemistry''' == BH3 optimisation As an start, a molecule of BH3 was optimised using Gaussia..."