User contributions for Tm1016
13 March 2017
- 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..."
