The Source Function (SF) approach in chemistry, as applied to the study of the electron density, the electron spin density and the molecular electrostatic potential, is fully reviewed. These scalar fields are all of noteworthy importance for chemistry and analyzing them through the SF, the local SF and their partial SF reconstructions, provides further relevant chemical insights, besides those one obtains from their topological study. Several didactic applications of the SF approach to the named fields are also thoroughly discussed
Chemical insights from the Source Function reconstruction of scalar fields relevant to chemistry
Gatti, Carlo
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2023
Abstract
The Source Function (SF) approach in chemistry, as applied to the study of the electron density, the electron spin density and the molecular electrostatic potential, is fully reviewed. These scalar fields are all of noteworthy importance for chemistry and analyzing them through the SF, the local SF and their partial SF reconstructions, provides further relevant chemical insights, besides those one obtains from their topological study. Several didactic applications of the SF approach to the named fields are also thoroughly discussedFile in questo prodotto:
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