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Applications I: Partial Charges and Potential Energy Surface Scans

Applications I: Partial Charges and Potential Energy Surface Scans. Lecture CompChem 5 Chemistry 347 Hope College. Previous Applications. Geometry optimization Conformation stability Transition states IR and NMR spectra Thermochemistry (ZPE, C V , S, H, G) Enthalpies of reaction D rxn H.

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Applications I: Partial Charges and Potential Energy Surface Scans