User contributions for Mc4717
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15 March 2018
- 16:3016:30, 15 March 2018 diff hist +76 Rep:Mod:WorkshopMC11 No edit summary
- 16:2916:29, 15 March 2018 diff hist 0 N File:MC4717 N2 MO4.PNG No edit summary current
- 16:2816:28, 15 March 2018 diff hist 0 N File:MC4717 N2 MO3.PNG No edit summary
- 16:2816:28, 15 March 2018 diff hist 0 N File:MC4717 N2 MO2.PNG No edit summary current
- 16:2716:27, 15 March 2018 diff hist 0 N File:MC4717 N2 MO1.PNG No edit summary current
- 16:2716:27, 15 March 2018 diff hist +64 Rep:Mod:WorkshopMC11 No edit summary
- 14:5314:53, 15 March 2018 diff hist +473 Rep:Mod:WorkshopMC11 No edit summary
- 14:4614:46, 15 March 2018 diff hist +58 Rep:Mod:WorkshopMC11 No edit summary
- 14:4414:44, 15 March 2018 diff hist 0 N File:Mc4717 N2 Spectrum.PNG No edit summary current
- 14:4414:44, 15 March 2018 diff hist 0 N File:Mc4717 N2 DispVibrations.PNG No edit summary current
- 14:4314:43, 15 March 2018 diff hist 0 N File:MC4717 N2 CHARGESx.PNG No edit summary current
- 14:4314:43, 15 March 2018 diff hist +578 Rep:Mod:WorkshopMC11 No edit summary
- 14:3814:38, 15 March 2018 diff hist −10 Rep:Mod:WorkshopMC11 No edit summary
- 14:3514:35, 15 March 2018 diff hist 0 N File:MC4717 N2 OPT.LOG No edit summary current
- 14:3414:34, 15 March 2018 diff hist +55 Rep:Mod:WorkshopMC11 No edit summary
- 14:2514:25, 15 March 2018 diff hist +36 Rep:Mod:WorkshopMC11 No edit summary
- 14:1914:19, 15 March 2018 diff hist 0 N File:Mc4717 H2 Spectrum.PNG No edit summary current
- 14:1914:19, 15 March 2018 diff hist 0 N File:Mc4717 H2 DispVibrations.PNG No edit summary current
- 14:1114:11, 15 March 2018 diff hist −20 Rep:Mod:WorkshopMC11 No edit summary
- 14:0714:07, 15 March 2018 diff hist +58 Rep:Mod:WorkshopMC11 No edit summary
- 14:0414:04, 15 March 2018 diff hist +9 Rep:Mod:WorkshopMC11 →NH3 Charge Distribution
- 14:0314:03, 15 March 2018 diff hist +20 Rep:Mod:WorkshopMC11 →Molecule Vibrations
- 14:0314:03, 15 March 2018 diff hist +26 Rep:Mod:WorkshopMC11 →Molecule Infromation
- 14:0014:00, 15 March 2018 diff hist −54 Rep:Mod:WorkshopMC11 No edit summary
- 13:4813:48, 15 March 2018 diff hist +4 Rep:Mod:WorkshopMC11 →H2 Molecule
- 13:4013:40, 15 March 2018 diff hist 0 N File:MC4717 H2 OPT.LOG No edit summary current
- 13:3913:39, 15 March 2018 diff hist −1 Rep:Mod:WorkshopMC11 →H2 Molecule
- 13:3813:38, 15 March 2018 diff hist +61 Rep:Mod:WorkshopMC11 →H2 Molecule
- 13:3713:37, 15 March 2018 diff hist 0 File:MC4717 NH3 OPT.LOG Mc4717 uploaded a new version of File:MC4717 NH3 OPT.LOG current
- 13:3613:36, 15 March 2018 diff hist +677 Rep:Mod:WorkshopMC11 →H2 Molecule
- 13:2513:25, 15 March 2018 diff hist +991 Rep:Mod:WorkshopMC11 →NH3 Charge Distribution
- 13:1513:15, 15 March 2018 diff hist +1,088 Rep:Mod:WorkshopMC11 →NH3 Charge Distribution
- 13:0313:03, 15 March 2018 diff hist +3 Rep:Mod:WorkshopMC11 →NH3 Charge Distribution
- 12:5612:56, 15 March 2018 diff hist +55 Rep:Mod:WorkshopMC11 →NH3 Charge Distribution
- 12:5312:53, 15 March 2018 diff hist 0 N File:MC4717 NH3 CHARGES.png No edit summary current
- 12:4912:49, 15 March 2018 diff hist 0 File:MC4717 NH3 CHARGES.PNG Mc4717 uploaded a new version of File:MC4717 NH3 CHARGES.PNG current
- 12:4712:47, 15 March 2018 diff hist 0 N File:MC4717 NH3 CHARGES.PNG No edit summary
- 12:4712:47, 15 March 2018 diff hist +217 Rep:Mod:WorkshopMC11 No edit summary
- 11:4511:45, 15 March 2018 diff hist +698 Rep:Mod:WorkshopMC11 No edit summary
- 11:2811:28, 15 March 2018 diff hist 0 N File:Mc4717 DispVibrations.PNG No edit summary current
- 11:2811:28, 15 March 2018 diff hist −67 Rep:Mod:WorkshopMC11 →Ammonia
- 11:2211:22, 15 March 2018 diff hist +411 Rep:Mod:WorkshopMC11 →Ammonia
- 11:0711:07, 15 March 2018 diff hist +184 Rep:Mod:WorkshopMC11 →Molecule Infromation
- 10:5910:59, 15 March 2018 diff hist 0 Rep:Mod:WorkshopMC11 →Molecule Infromation
- 10:5910:59, 15 March 2018 diff hist +1 Rep:Mod:WorkshopMC11 →Ammonia
- 10:5810:58, 15 March 2018 diff hist +29 Rep:Mod:WorkshopMC11 →Molecule Infromation
- 10:5610:56, 15 March 2018 diff hist 0 File:MC4717 NH3 OPT.LOG Mc4717 uploaded a new version of File:MC4717 NH3 OPT.LOG
- 10:5410:54, 15 March 2018 diff hist 0 N File:MC4717 NH3 OPT.LOG No edit summary
- 10:4710:47, 15 March 2018 diff hist −12 Rep:Mod:WorkshopMC11 No edit summary
- 10:4410:44, 15 March 2018 diff hist +1,909 N Rep:Mod:WorkshopMC11 Created page with "=='''Ammonia'''== ===''Molecule Infromation''=== <li>Calculation method: RB3LYP <li>Basis set: 6-31G(d,p): 6-31G(d,p) <li>Final energy E(RB3LYP) in atomic units (au): -56.557..."