User contributions for Heg18
25 February 2019
- 10:3910:39, 25 February 2019 diff hist −1 Rep:Mod:Heg18 (01512138) IMM2 Report →NH3 Optimisation
- 10:3810:38, 25 February 2019 diff hist 0 N File:HEG18 NH3 OPTF POP.LOG No edit summary current
- 10:3710:37, 25 February 2019 diff hist −3 Rep:Mod:Heg18 (01512138) IMM2 Report →NHx3 Optimisation Tag: Visual edit: Switched
- 10:3710:37, 25 February 2019 diff hist +4 Rep:Mod:Heg18 (01512138) IMM2 Report →NHx3 Optimisation Tag: Visual edit: Switched
- 10:3610:36, 25 February 2019 diff hist −4 Rep:Mod:Heg18 (01512138) IMM2 Report →NHx3 Optimisation Tag: Visual edit: Switched
- 10:3510:35, 25 February 2019 diff hist +76 Rep:Mod:Heg18 (01512138) IMM2 Report →NHx3 Optimisation Tag: Visual edit: Switched
- 10:0810:08, 25 February 2019 diff hist +713 N Rep:Mod:Heg18 (01512138) IMM2 Report Created page with "== NHx<sub>3</sub> Optimisation == Molecule: NHx<sub>3</sub> Calculation Method: RB3LYP Basis Set: 6-31G(d.p) Final Energy (a.u.): -56.55776856 RMS Gradient (a.u.):0.0005697..."