User contributions for Tm1016
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17 March 2017
- 14:1614:16, 17 March 2017 diff hist −21 Rep:Mod:TBFA2017 →Optimization of Hydrogen molecule
- 14:1514:15, 17 March 2017 diff hist −257 Rep:Mod:TBFA2017 →Optimization of Hydrogen molecule
- 14:1514:15, 17 March 2017 diff hist −11 Rep:Mod:TBFA2017 →Optimization of N2
- 14:1414:14, 17 March 2017 diff hist +533 Rep:Mod:TBFA2017 →Optimization of Hydrogen molecule
- 13:5213:52, 17 March 2017 diff hist +435 Rep:Mod:TBFA2017 →Optimization of N2
- 13:3113:31, 17 March 2017 diff hist +271 Rep:Mod:TBFA2017 →Charge Analysis
- 13:2113:21, 17 March 2017 diff hist +812 Rep:Mod:TBFA2017 →Vibrations
- 12:5412:54, 17 March 2017 diff hist +1,248 Rep:Mod:TBFA2017 →Optimization of Ammonia, NH3
- 10:5810:58, 17 March 2017 diff hist +110 Rep:Mod:TBFA2017 →NH3 optimization
- 10:5510:55, 17 March 2017 diff hist −371 Rep:Mod:TBFA2017 →Chlorine TriFluoride
16 March 2017
- 22:0422:04, 16 March 2017 diff hist −15 Rep:Mod:TBFA2017 →NH3 optimization
- 22:0322:03, 16 March 2017 diff hist −41 Rep:Mod:TBFA2017 →Optimization of Ammonia, NH3
- 15:3415:34, 16 March 2017 diff hist +56 Rep:Mod:TBFA2017 →NH3 optimization
- 11:3111:31, 16 March 2017 diff hist +371 Rep:Mod:TBFA2017 →molecular orbitals
- 11:1011:10, 16 March 2017 diff hist +200 Rep:Mod:TBFA2017 →optimization of F2
- 11:1011:10, 16 March 2017 diff hist +199 Rep:Mod:TBFA2017 →Optimization of Hydrogen molecule
- 11:0911:09, 16 March 2017 diff hist +201 Rep:Mod:TBFA2017 →Optimization of N2
- 10:5710:57, 16 March 2017 diff hist +28 Rep:Mod:TBFA2017 →Charge analysis
- 10:5610:56, 16 March 2017 diff hist +62 Rep:Mod:TBFA2017 →vibration analysis
- 10:5510:55, 16 March 2017 diff hist +385 Rep:Mod:TBFA2017 →vibration analysis
- 10:5310:53, 16 March 2017 diff hist +75 Rep:Mod:TBFA2017 →optimization of F2
- 10:5310:53, 16 March 2017 diff hist 0 N File:TMACKIN F2 OPTF POP.LOG No edit summary current
- 10:5210:52, 16 March 2017 diff hist +756 Rep:Mod:TBFA2017 →Energy of Haber Bosch process
- 10:5210:52, 16 March 2017 diff hist 0 N File:Tmackin display vibrations for optimized f2.PNG No edit summary current
- 09:5609:56, 16 March 2017 diff hist +374 Rep:Mod:TBFA2017 →Charge Analysis
- 09:3609:36, 16 March 2017 diff hist +728 Rep:Mod:TBFA2017 →Vibration analysis
- 09:3209:32, 16 March 2017 diff hist −2 Rep:Mod:TBFA2017 →vibration analysis
- 09:3109:31, 16 March 2017 diff hist +29 Rep:Mod:TBFA2017 →Optimization of Hydrogen molecule
- 09:3109:31, 16 March 2017 diff hist 0 N File:Tmackin vibrations h2 molecule.PNG No edit summary current
- 09:2909:29, 16 March 2017 diff hist +1 Rep:Mod:TBFA2017 →Optimization of Hydrogen molecule
- 09:2809:28, 16 March 2017 diff hist −1 Rep:Mod:TBFA2017 →Optimization of Ammonia, NH3
- 09:2809:28, 16 March 2017 diff hist +746 Rep:Mod:TBFA2017 →Charge Analysis
- 09:2709:27, 16 March 2017 diff hist 0 N File:TMACKIN H2 OPTF POP.LOG No edit summary current
13 March 2017
- 12:0912:09, 13 March 2017 diff hist +583 Rep:Mod:TBFA2017 →vibration analysis
- 12:0312:03, 13 March 2017 diff hist 0 N File:Tmackin display vibrations for optimized n2.PNG No edit summary current
- 12:0312:03, 13 March 2017 diff hist +699 Rep:Mod:TBFA2017 →Optimization of N2
- 11:5311:53, 13 March 2017 diff hist +25 Rep:Mod:TBFA2017 →Optimization of N2
- 11:5211:52, 13 March 2017 diff hist 0 N File:TMACKIN N2 OPTF POP.LOG No edit summary current
- 11:5211:52, 13 March 2017 diff hist +27 Rep:Mod:TBFA2017 →Optimization of Ammonia, NH3
- 11:1911:19, 13 March 2017 diff hist +306 Rep:Mod:TBFA2017 →Optimization of Ammonia, NH3
- 11:1311:13, 13 March 2017 diff hist +132 Rep:Mod:TBFA2017 →Vibrations
- 11:0111:01, 13 March 2017 diff hist −3 Rep:Mod:TBFA2017 →NH3 optimization
- 10:5710:57, 13 March 2017 diff hist +487 Rep:Mod:TBFA2017 →Optimization of Ammonia, NH3
- 10:5510:55, 13 March 2017 diff hist 0 N File:Tmackin display vibrations optimised nh3.PNG No edit summary current
- 10:4210:42, 13 March 2017 diff hist +77 Rep:Mod:TBFA2017 →Optimization of Ammonia, NH3
- 10:3610:36, 13 March 2017 diff hist 0 Rep:Mod:TBFA2017 →Optimization of Ammonia, NH3
- 10:3510:35, 13 March 2017 diff hist 0 Rep:Mod:TBFA2017 →Optimization of Ammonia, NH3
- 10:3210:32, 13 March 2017 diff hist +201 Rep:Mod:TBFA2017 →Optimization of Ammonia, NH3
- 10:3210:32, 13 March 2017 diff hist 0 N File:TMACKIN NH3 OPTF POP.LOG No edit summary current
- 10:3010:30, 13 March 2017 diff hist +568 N Rep:Mod:TBFA2017 Created page with "== Optimization of Ammonia, NH3 == NH3 optimization molecule name= TMackin_nh3_optf_pop calculation method= RB3LYP basis set=6-31G(d,p) final energy E(RB3LYP) in atomic unit..."