User contributions for Mms4518
5 March 2019
- 16:0716:07, 5 March 2019 diff hist +326 MMS4518 No edit summary current
- 16:0016:00, 5 March 2019 diff hist 0 N File:MMS4518 NH3 OPTF POP.LOG No edit summary
- 15:5915:59, 5 March 2019 diff hist −245 MMS4518 No edit summary
- 15:5815:58, 5 March 2019 diff hist +848 N MMS4518 Created page with "== <b>NH<sub>3</sub> molecule</b> == '''Calculation method: '''B3LYP '''Basis set: '''6-31G(d,p) '''Point group:''' C<sub>3</sub>V '''Final energy E(RB3LYP): '''-56.55776..."
4 March 2019
- 11:5711:57, 4 March 2019 diff hist +2 Rep:Mod:smymaya No edit summary
- 11:5711:57, 4 March 2019 diff hist −1 Rep:Mod:smymaya No edit summary
- 11:5611:56, 4 March 2019 diff hist +12 Rep:Mod:smymaya No edit summary
- 11:5611:56, 4 March 2019 diff hist +18 Rep:Mod:smymaya No edit summary
- 11:5411:54, 4 March 2019 diff hist +6 Rep:Mod:smymaya No edit summary
- 11:5011:50, 4 March 2019 diff hist +136 Rep:Mod:smymaya →NH3 molecule Tag: Visual edit
- 11:4511:45, 4 March 2019 diff hist +16 Rep:Mod:smymaya →NH3 molecule
- 10:3310:33, 4 March 2019 diff hist +303 N Rep:Mod:smymaya Created page with "== NH3 molecule == Item Value Threshold Converged? Maximum Force 0.000323 0.000450 YES RMS Force 0.000153..."