User contributions for Sa7516

17 March 2017

• 12:3212:32, 17 March 2017 diff hist +2 Rep:Mod:SOL0951 →Energy for the reaction of N2 + 3H2 -> 2NH
• 12:3212:32, 17 March 2017 diff hist −1 Rep:Mod:SOL0951 →Reaction Energy
• 12:3212:32, 17 March 2017 diff hist −1 Rep:Mod:SOL0951 →H2
• 12:3212:32, 17 March 2017 diff hist +6 Rep:Mod:SOL0951 →H2
• 12:3112:31, 17 March 2017 diff hist −8 Rep:Mod:SOL0951 →Reaction Energy
• 12:3012:30, 17 March 2017 diff hist +411 Rep:Mod:SOL0951 →Ammonia
• 11:5811:58, 17 March 2017 diff hist −196 Rep:Mod:SOL0951 →Optimisation
• 11:5411:54, 17 March 2017 diff hist +254 Rep:Mod:SOL0951 No edit summary
• 11:4411:44, 17 March 2017 diff hist 0 File:SA7516 CN OPTIMISATION.LOG Sa7516 uploaded a new version of File:SA7516 CN OPTIMISATION.LOG current
• 11:3511:35, 17 March 2017 diff hist −44 Rep:Mod:SOL0951 →Energy for the reaction of N2 + 3H2 -> 2NH
• 11:1911:19, 17 March 2017 diff hist +694 Rep:Mod:SOL0951 No edit summary
• 11:0011:00, 17 March 2017 diff hist +231 Rep:Mod:SOL0951 →Molecular Orbitals
• 10:4610:46, 17 March 2017 diff hist +1,186 Rep:Mod:SOL0951 →Molecular Orbitals
• 10:0610:06, 17 March 2017 diff hist +284 Rep:Mod:SOL0951 →Molecular Orbitals
• 09:5409:54, 17 March 2017 diff hist 0 N File:SOL0951 CN MO7.jpg No edit summary current
• 09:5309:53, 17 March 2017 diff hist 0 N File:SOL0951 CN MO5.jpg No edit summary current
• 09:5309:53, 17 March 2017 diff hist 0 N File:SOL0951 CN MO4.jpg No edit summary current
• 09:5309:53, 17 March 2017 diff hist 0 N File:SOL0951 CN MO3.jpg No edit summary current
• 09:5209:52, 17 March 2017 diff hist 0 N File:SOL0951 CN MO1.jpg No edit summary current
• 09:5109:51, 17 March 2017 diff hist +74 Rep:Mod:SOL0951 No edit summary
• 09:3609:36, 17 March 2017 diff hist +1,048 Rep:Mod:SOL0951 No edit summary

16 March 2017

• 11:5911:59, 16 March 2017 diff hist +271 Rep:Mod:SOL0951 No edit summary
• 11:4811:48, 16 March 2017 diff hist 0 N File:SA7516 CN OPTIMISATION.LOG No edit summary
• 11:4811:48, 16 March 2017 diff hist 0 N File:SA7516 H2 OPTIMISATION.LOG No edit summary current
• 11:4711:47, 16 March 2017 diff hist 0 N File:SA7516 N2 OPTIMISATION.LOG No edit summary current
• 11:3911:39, 16 March 2017 diff hist 0 Rep:Mod:SOL0951 →The Cyanide Ion
• 11:3911:39, 16 March 2017 diff hist +241 Rep:Mod:SOL0951 →The Cyanide Ion
• 11:2511:25, 16 March 2017 diff hist +292 Rep:Mod:SOL0951 No edit summary
• 11:0111:01, 16 March 2017 diff hist −3 Rep:Mod:SOL0951 →Optimisation
• 11:0011:00, 16 March 2017 diff hist +387 Rep:Mod:SOL0951 →Ammonia
• 10:5410:54, 16 March 2017 diff hist +107 Rep:Mod:SOL0951 →Energy for the reaction of N2 + 3H2 -> 2NH
• 10:5210:52, 16 March 2017 diff hist +2,449 Rep:Mod:SOL0951 No edit summary
• 10:4310:43, 16 March 2017 diff hist +26 Rep:Mod:SOL0951 No edit summary
• 10:4010:40, 16 March 2017 diff hist +279 Rep:Mod:SOL0951 No edit summary
• 10:2010:20, 16 March 2017 diff hist +12 Rep:Mod:SOL0951 No edit summary
• 10:1410:14, 16 March 2017 diff hist +199 Rep:Mod:SOL0951 No edit summary
• 10:1010:10, 16 March 2017 diff hist +117 Rep:Mod:SOL0951 No edit summary
• 10:0310:03, 16 March 2017 diff hist +226 Rep:Mod:SOL0951 No edit summary
• 09:5009:50, 16 March 2017 diff hist +1,535 Rep:Mod:SOL0951 No edit summary
• 09:1609:16, 16 March 2017 diff hist 0 Rep:Mod:SOL0951 No edit summary

13 March 2017

• 11:5811:58, 13 March 2017 diff hist −842 Rep:Mod:SOL0951 No edit summary
• 11:4511:45, 13 March 2017 diff hist +226 Rep:Mod:SOL0951 No edit summary
• 11:3411:34, 13 March 2017 diff hist +41 Rep:Mod:SOL0951 No edit summary
• 11:3011:30, 13 March 2017 diff hist 0 N File:SOL0951 Display Vibrations.png No edit summary current
• 11:2911:29, 13 March 2017 diff hist +329 Rep:Mod:SOL0951 No edit summary
• 11:0411:04, 13 March 2017 diff hist +77 Rep:Mod:SOL0951 No edit summary
• 11:0111:01, 13 March 2017 diff hist +189 Rep:Mod:SOL0951 No edit summary
• 10:5710:57, 13 March 2017 diff hist +28 N File:SOL0951 NH3optimisation.LOG Log file for NH3, session 1. current
• 10:4410:44, 13 March 2017 diff hist +1,153 Rep:Mod:SOL0951 No edit summary
• 10:3910:39, 13 March 2017 diff hist +645 N Rep:Mod:SOL0951 Created page with "<pre> Molecule Name NH3 Calculation Method RB3LYP Basis Set 6-31G(d,p) Final Energy -56.55776873 a.u. RMS Gradient Norm 0.00000485 a.u. Point Gr..."