Bader,
Richard F. W. Bader
Atoms in Molecules
A Quantum Theory
Paperback Engels 1994 9780198558651Levertijd ± 11 werkdagen
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Samenvatting
The molecular structure hypothesis, forged in the nineteenth-century, is not related directly to the physics which governs the motions of the nuclei and electrons that make up the atoms and the bonds within the structure.
It is the purpose of this important new book to show that a theory can be developed to underpin the molecular structure hypothesis - that the atoms in a molecule are real, with properties predicted and defined by the laws of quantum mechanics, and that the structure their presence imparts to a molecule is indeed a consequence of the underlying physics. As a result the full predictive power of quantum mechanics can be incorporated into the resulting theory - a theory of atoms in molecules.
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Inhoudsopgave
List of symbols; Atoms in chemistry; Atoms and the topology of the charge density; Molecular structure and its change; Mathematical models of structural change; The quantum atom; The mechanics of an atom in a molecule; Chemical models and the Laplacian of the charge density; The action principle for a quantum subsystem; Appendix - tables of data; Index.
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