Prediction of Solid Density by van der Waals Molecular Surface Electrostatic Potential

KIM CHANKYUNG

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Prediction of Solid Density by van der Waals Molecular Surface Electrostatic Potential

KIM CHANKYUNG

초록

The generalized interaction properties function (GIPF) methodology developed by Politzer and coworkers, which calculated molecular surface electrostatic potential (MSESP) on a density envelope surface was modified by calculating the MSESP on a much simpler van der Waals (vdW) surface of a molecule.

제목: Prediction of Solid Density by van der Waals Molecular Surface Electrostatic Potential

제목 (타언어): Prediction of Solid Density by van der Waals Molecular Surface Electrostatic Potential

저자: KIM CHANKYUNG

학회명: 2004년 한국군사과학기술학회