User contributions for Zl6417

8 March 2018

• 11:0011:00, 8 March 2018 diff hist 0 N File:Screenshot NH4.PNG No edit summary current
• 10:5410:54, 8 March 2018 diff hist −1 Rep:Mod:01413765 →Optimization of [NH4]+
• 10:5310:53, 8 March 2018 diff hist −20 Rep:Mod:01413765 →Optimization of [NH4]+
• 10:5210:52, 8 March 2018 diff hist 0 N File:01413765 NH4 OPTIMISATION.LOG No edit summary current
• 10:5010:50, 8 March 2018 diff hist 0 N File:NH4 OPTIMISATION.LOG No edit summary current
• 10:4910:49, 8 March 2018 diff hist +806 Rep:Mod:01413765 No edit summary
• 10:4110:41, 8 March 2018 diff hist +1 Rep:Mod:01413765 →Reaction energy of N2 + 3H2 -> 2NH3
• 10:1710:17, 8 March 2018 diff hist +1 Rep:Mod:01413765 →Optimization of NH3
• 10:1010:10, 8 March 2018 diff hist −1 Rep:Mod:01413765 No edit summary
• 10:0910:09, 8 March 2018 diff hist −23 Rep:Mod:01413765 No edit summary
• 10:0710:07, 8 March 2018 diff hist 0 N File:01413765 H2.LOG No edit summary current
• 10:0610:06, 8 March 2018 diff hist 0 N File:ZHIHANGLI 01413765 N2 OPTIMISATION.LOG No edit summary current
• 10:0610:06, 8 March 2018 diff hist +180 Rep:Mod:01413765 No edit summary
• 09:3509:35, 8 March 2018 diff hist +5 Rep:Mod:01413765 →Reactivity of N2 + 3H2 -> 2NH3
• 09:3409:34, 8 March 2018 diff hist +83 Rep:Mod:01413765 No edit summary
• 09:2709:27, 8 March 2018 diff hist +3 Rep:Mod:01413765 No edit summary
• 09:2709:27, 8 March 2018 diff hist +120 Rep:Mod:01413765 No edit summary
• 09:1609:16, 8 March 2018 diff hist −3 Rep:Mod:01413765 No edit summary
• 09:1609:16, 8 March 2018 diff hist +146 Rep:Mod:01413765 →Optimisation of H2
• 09:1109:11, 8 March 2018 diff hist 0 N File:Screenshot H2 vibration.PNG No edit summary current

7 March 2018

• 10:5610:56, 7 March 2018 diff hist −3 Rep:Mod:01413765 →Optimisation of H2
• 10:5510:55, 7 March 2018 diff hist +78 Rep:Mod:01413765 No edit summary
• 10:5310:53, 7 March 2018 diff hist 0 File:Screenshot N2 vibration.PNG Zl6417 uploaded a new version of File:Screenshot N2 vibration.PNG current
• 10:5310:53, 7 March 2018 diff hist 0 N File:Screenshot N2 vibration.PNG No edit summary
• 10:5210:52, 7 March 2018 diff hist +472 Rep:Mod:01413765 →Optimisation of N2
• 10:4310:43, 7 March 2018 diff hist +471 Rep:Mod:01413765 No edit summary

6 March 2018

• 11:5711:57, 6 March 2018 diff hist +32 Rep:Mod:01413765 →Charge distribution of NH3
• 11:5611:56, 6 March 2018 diff hist 0 N File:Screenshot charge.PNG No edit summary current
• 11:5511:55, 6 March 2018 diff hist +303 Rep:Mod:01413765 No edit summary
• 11:4611:46, 6 March 2018 diff hist +1 Rep:Mod:01413765 →Vibrations of NH3
• 11:4611:46, 6 March 2018 diff hist +6 Rep:Mod:01413765 No edit summary
• 11:4511:45, 6 March 2018 diff hist +34 Rep:Mod:01413765 →Vibrations of NH3
• 11:4511:45, 6 March 2018 diff hist −35 Rep:Mod:01413765 →Optimization of NH3
• 11:4411:44, 6 March 2018 diff hist +613 Rep:Mod:01413765 →Optimization of NH3
• 11:3011:30, 6 March 2018 diff hist 0 Rep:Mod:01413765 →Optimization of NH3
• 11:2911:29, 6 March 2018 diff hist −1 Rep:Mod:01413765 →Optimization of NH3
• 11:2911:29, 6 March 2018 diff hist +36 Rep:Mod:01413765 →Optimization of NH3
• 11:2811:28, 6 March 2018 diff hist 0 N File:Screenshot vibration.PNG No edit summary current

5 March 2018

• 12:0612:06, 5 March 2018 diff hist +6 Rep:Mod:01413765 →Optimization of NH3
• 12:0512:05, 5 March 2018 diff hist 0 Rep:Mod:01413765 →Optimization of NH3
• 12:0312:03, 5 March 2018 diff hist 0 Rep:Mod:01413765 →Optimization of NH3
• 12:0212:02, 5 March 2018 diff hist 0 File:ZHIHANGLI 01413765 NH3 OPTIMISATION.LOG Zl6417 uploaded a new version of File:ZHIHANGLI 01413765 NH3 OPTIMISATION.LOG current
• 11:5911:59, 5 March 2018 diff hist 0 Rep:Mod:01413765 →Optimization of NH3
• 11:5911:59, 5 March 2018 diff hist +85 Rep:Mod:01413765 →Optimization of NH3
• 11:5111:51, 5 March 2018 diff hist −10 Rep:Mod:01413765 →Optimization of NH3
• 11:4911:49, 5 March 2018 diff hist +29 Rep:Mod:01413765 →Optimization of NH3
• 11:4511:45, 5 March 2018 diff hist +202 Rep:Mod:01413765 →Optimization of NH3
• 11:4111:41, 5 March 2018 diff hist 0 N File:ZHIHANGLI 01413765 NH3 OPTIMISATION.LOG No edit summary
• 11:3911:39, 5 March 2018 diff hist +4 Rep:Mod:01413765 →Optimization of NH3
• 11:3611:36, 5 March 2018 diff hist +464 N Rep:Mod:01413765 Created page with "==Optimization of NH<sub>3== Molecule name: NH<sub>3 Calculation method: RB3LYP Basis set: 6-31G(D,P) Final energy E(RB3LYP): -56.55776873 a.u. Point group: C<sub>3v <pre>..."