User contributions for Vp1216
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20 March 2017
- 09:5709:57, 20 March 2017 diff hist +224 N Rep:Mod:Vishali Pala Created page with " Molecule: NH3 Calculation method:RB3LYP Basis set: 6-31G(d.p) Final Energy E(RB3LYP): -56.55776873 a.u. RMS gradient: 0.00000485 a.u. Point group: C3V Optimised N-H bond dist..."