ELECTRON DENSITY DISTRIBUTIONS IN ATOMS,MOLECULES AND CRYSTALS.A NEW APPROACH OF ANALYZING INTRA- AND INTERMOLECULAR INTERACTIONS

【Author】

W.H.E.Schwarz;J.E.Niu;S.Irle;

【Abstract】

<正>Electron density distributions p(r) contain three types of features, which give rise to a new natural approach of analyzing p with respect to chemical bonding.These features are 1) the very large,nearly spherical atomic core densities,defining the geometric structure,2) the smaller multipolar atomic valence densities,

【Keywords】

AND INTERMOLECULAR INTERACTIONS;ELECTRON DENSITY DISTRIBUTIONS IN ATOMS,MOLECULES AND CRYSTALS.A NEW APPROACH OF ANALYZING INTRA;

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