User contributions for Mc4716
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24 March 2017
- 11:4511:45, 24 March 2017 diff hist 0 N File:MC4716 Molecular Orbital ClF3 2 1.png No edit summary current
- 11:4411:44, 24 March 2017 diff hist +12 Rep:Mod:Mac1 →ClH3 Optimization
- 11:4311:43, 24 March 2017 diff hist +6 Rep:Mod:Mac1 →ClH3 Optimization
- 11:4311:43, 24 March 2017 diff hist +5 Rep:Mod:Mac1 →ClF3 Optimization
- 11:4111:41, 24 March 2017 diff hist +3 Rep:Mod:Mac1 No edit summary
- 11:3811:38, 24 March 2017 diff hist +3,839 Rep:Mod:Mac1 No edit summary
- 10:4410:44, 24 March 2017 diff hist 0 N File:MC4716 Charge Distribution ClF3 2.png No edit summary current
- 10:4110:41, 24 March 2017 diff hist 0 N File:MC4716 Vibration Screenshot ClF3 2.PNG No edit summary current
- 10:3910:39, 24 March 2017 diff hist 0 N File:MC4716 CLF3 OPTI 2.LOG No edit summary current
- 10:1010:10, 24 March 2017 diff hist 0 N File:MC4716 Molecular Orbital 5.png No edit summary current
- 10:0910:09, 24 March 2017 diff hist 0 N File:MC4716 Molecular Orbital 4.png No edit summary current
- 10:0910:09, 24 March 2017 diff hist 0 N File:MC4716 Molecular Orbital 3.png No edit summary current
- 10:0910:09, 24 March 2017 diff hist 0 N File:MC4716 Molecular Orbital 2.png No edit summary current
- 10:0910:09, 24 March 2017 diff hist 0 N File:MC4716 Molecular Orbital 1.png No edit summary current
- 10:0810:08, 24 March 2017 diff hist 0 N File:MC4716 Charge Distribution ClF3.PNG No edit summary current
- 10:0410:04, 24 March 2017 diff hist +667 Rep:Mod:Mac1 No edit summary
- 10:0410:04, 24 March 2017 diff hist 0 N File:MC4716 N2 OPTI 1.LOG No edit summary current
- 10:0310:03, 24 March 2017 diff hist 0 N File:MC4716 H2 OPTI 1.LOG No edit summary current
- 09:3609:36, 24 March 2017 diff hist +67 Rep:Mod:Mac1 No edit summary
- 09:3609:36, 24 March 2017 diff hist 0 N File:Charge Distribution ClF3.PNG No edit summary current
- 09:2909:29, 24 March 2017 diff hist +904 Rep:Mod:Mac1 No edit summary
- 09:2809:28, 24 March 2017 diff hist 0 N File:MC4716 CLF3 OPTI 1.LOG No edit summary current
- 09:2209:22, 24 March 2017 diff hist 0 N File:MC4716 Vibration Screenshot ClF3.png No edit summary current
- 09:2209:22, 24 March 2017 diff hist +363 Rep:Mod:Mac1 No edit summary
20 March 2017
- 11:5111:51, 20 March 2017 diff hist +5 Rep:Mod:Mac1 No edit summary
- 11:5011:50, 20 March 2017 diff hist +233 Rep:Mod:Mac1 No edit summary
- 11:4111:41, 20 March 2017 diff hist +787 Rep:Mod:Mac1 No edit summary
- 11:4111:41, 20 March 2017 diff hist 0 N File:MC4716 Vibration Screenshot H2.png No edit summary current
- 11:3011:30, 20 March 2017 diff hist 0 N File:MC4716 Vibration Screenshot N2.png No edit summary current
- 11:2811:28, 20 March 2017 diff hist +751 Rep:Mod:Mac1 No edit summary
- 11:1011:10, 20 March 2017 diff hist −1 Rep:Mod:Mac1 No edit summary
- 11:0911:09, 20 March 2017 diff hist +5 Rep:Mod:Mac1 →NH3 Optimization
- 11:0911:09, 20 March 2017 diff hist +8 Rep:Mod:Mac1 No edit summary
- 11:0811:08, 20 March 2017 diff hist −2 Rep:Mod:Mac1 →NH3 Optimization
- 11:0811:08, 20 March 2017 diff hist +398 Rep:Mod:Mac1 →NH3 Optimization
- 10:5510:55, 20 March 2017 diff hist +3 Rep:Mod:Mac1 →NH3 Optimization
- 10:5510:55, 20 March 2017 diff hist +4 Rep:Mod:Mac1 →NH3 Optimization
- 10:5410:54, 20 March 2017 diff hist +17 Rep:Mod:Mac1 →Vibration
- 10:5110:51, 20 March 2017 diff hist +716 Rep:Mod:Mac1 →NH3 Optimization
- 10:3710:37, 20 March 2017 diff hist 0 N File:MC4716 Vibration Screenshot.png No edit summary current
- 10:3210:32, 20 March 2017 diff hist +25 Rep:Mod:Mac1 →Results
- 10:2510:25, 20 March 2017 diff hist +30 Rep:Mod:Mac1 →NH3 Optimization
- 10:2110:21, 20 March 2017 diff hist +173 Rep:Mod:Mac1 →NH3 Optimization
- 10:1510:15, 20 March 2017 diff hist +31 Rep:Mod:Mac1 →Results
- 10:1110:11, 20 March 2017 diff hist +45 N File:MC4716 NH3 OPTI 1.LOG .log file of the optimization of NH3 molecule current
- 10:0910:09, 20 March 2017 diff hist +7 Rep:Mod:Mac1 →Calculation Results
- 10:0310:03, 20 March 2017 diff hist +399 Rep:Mod:Mac1 →Calculation Results
- 09:5209:52, 20 March 2017 diff hist +53 Rep:Mod:Mac1 →NH3 Optimization
- 09:4909:49, 20 March 2017 diff hist +4 Rep:Mod:Mac1 →Calculation Results Tag: Visual edit
- 09:4909:49, 20 March 2017 diff hist +223 N Rep:Mod:Mac1 Created page with "==NH<sub>3</sub> Optimization== ===Calculation Results=== <b>Calculation Method:</b> RB3LYP <b>Basis Set:</b> 6-31G(d.p) <b>Final Energy(a.u.):</b> -56.44397188 <b>RMS Gradie..."