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20 March 2017
- 09:4909:49, 20 March 2017 diff hist +223 N Rep:Mod:Mac1 Created page with "==NH<sub>3</sub> Optimization== ===Calculation Results=== <b>Calculation Method:</b> RB3LYP <b>Basis Set:</b> 6-31G(d.p) <b>Final Energy(a.u.):</b> -56.44397188 <b>RMS Gradie..."