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• W2010160878 abstract "In the last decade the quantum theory of atoms in molecules1 (QTAM) has been increasingly used to highlight many facets of molecular structure, and of chemical reactivity, and to rationalize observed thermochemical or spectroscopical molecular properties. By using only information contained in the molecular charge distribution p(r) and in its associated gradient vector Vp(r) and Laplacian V p(r) fields, the QTAM allows to define the structure of a molecule, its structural stability and the properties of its constituting atoms. It is worth emphasizing that the charge density, which plays a key role in QTAM, is a fundamental quantity in density functional theory, being the ground state wavefunction and energy a unique functional of ρ(r).2 Furthermore ρ(r) is just the three-dimensional single-particle density evinced in diffraction experiments." @default.
• W2010160878 created "2016-06-24" @default.
• W2010160878 creator A5015959731 @default.
• W2010160878 date "1992-01-01" @default.
• W2010160878 modified "2023-09-23" @default.
• W2010160878 title "Properties of Atoms and Chemical Nature of Bonds in Molecules, Clusters and Solids as Derived from a Topological Analysis of Theoretical or (and) Experimental Charge Densities" @default.
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• W2010160878 doi "https://doi.org/10.1007/978-1-4684-6021-6_52" @default.
• W2010160878 hasPublicationYear "1992" @default.
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