This chapter reviews the Source Function (SF) concept in Chemistry. In a nutshell, this concept refers to the possibility of envisaging any local value of a scalar function of interest for chemistry as due to the cumulative operation of local sources that originate from all other points of the molecular space and may either concur or oppose to that specific local value. The Source Function concept has been thus far applied to the electron density, the electron spin density and the molecular electrostatic potential scalar fields. A concise overview of interesting applications for each of these fields is provided.

The Source Function Concept in Chemistry

Gatti, Carlo
2024

Abstract

This chapter reviews the Source Function (SF) concept in Chemistry. In a nutshell, this concept refers to the possibility of envisaging any local value of a scalar function of interest for chemistry as due to the cumulative operation of local sources that originate from all other points of the molecular space and may either concur or oppose to that specific local value. The Source Function concept has been thus far applied to the electron density, the electron spin density and the molecular electrostatic potential scalar fields. A concise overview of interesting applications for each of these fields is provided.
2024
Istituto di Scienze e Tecnologie Chimiche "Giulio Natta" - SCITEC - Sede Secondaria Milano - Via C. Golgi
9780128232569
Bond critical point
Bond path
Cause and effect relationship
Chemical Bonding
Electron Delocalization
Electron density
Electron Spin density
Hydrogen Bonds
Influence Function
Local Source
Magnetic density
Metal-Ligand Interaction
Metal-Metal Bond
Molecular electrostatic potential
Partial Source Function Reconstructed Density
Reference Point
Relaxation density
Source Function
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/20.500.14243/562224
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