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
;
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 discussed
2023
Istituto di Scienze e Tecnologie Chimiche "Giulio Natta" - SCITEC - Sede Secondaria Milano - Via C. Golgi
9780323908917
Source Function; Local Source Function; Partial Source Function reconstructions; Locality and nonlocality in chemistry; Chemical transferability; Electron density; Electron spin density; Molecular electrostatic potential; Electron delocalization; Aromaticity; Hydrogen bonds; Metal-metal bonds; Metal-ligands bonds; σ- and π-holes regions; Molecular recognition; High performance liquid chromatography
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/20.500.14243/562286
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