Atoms in molecules : a quantum theory
著者
書誌事項
Atoms in molecules : a quantum theory
（International series of monographs on chemistry, 22）
Clarendon Press, 1990
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注記
Includes index
内容説明・目次
内容説明
The molecular structure hypothesis - that a molecular is a collection of atoms linked by a network of bonds - was forged in the crucible of 19th -century experimental chemistry and has continued to serve as the principal means of ordering and classifying the observation of chemistry. There is a difficulty with the hypothesis, however, in that it is not related directly to the physics which governs the motions of the nuclei and electrons that make up the atoms and the bonds. It is the purpose of this 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 classification based upon the concept of atoms in molecules is freed from its empirical constraints and the full predictive power of quantum mechanics can be incorporated into the resulting theory - a theory of atoms in molecules.
The book is aimed at those scientists responsible for performing the experiments and collecting the observations on the properties of matter at the atomic level, in the belief that the transformation of qualitative concepts into a quantitative theory will serve to deepen our understanding of chemistry.
目次
- 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.
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