User contributions for Xyk17

27 February 2018

• 13:1013:10, 27 February 2018 diff hist 0 N File:01365318 XYK17 displayvibrationswindow.png No edit summary current

26 February 2018

• 12:0112:01, 26 February 2018 diff hist +725 N Rep:Mod:01365318,XYK17 Created page with "Molecule: NH₃ Calculation method: RB3LYP Basis set: 6-31G(d.p) Final energy: -56.55776873au RMS gradient: 0.00000485au Point group: C3V Optimised N-H bond dis..."
• 11:5111:51, 26 February 2018 diff hist 0 N File:01365318 XYK17 NH3 OPTF POP.LOG No edit summary