Atoms and bonds in molecules and chemical explanations |
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Authors: | Mauro Causá Andreas Savin Bernard Silvi |
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Affiliation: | 1. Dip. di Chimica, Universitá di Napoli Federico II, Via Cintia, 80126, Naples, Italy 2. Laboratoire de Chimie Théorique (UMR-CNRS 7616), Université Pierre et Marie Curie, 4 place Jussieu, 75252, Paris, France
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Abstract: | The concepts of atoms and bonds in molecules which appeared in chemistry during the nineteenth century are unavoidable to explain the structure and the reactivity of the matter at a chemical level of understanding. Although they can be criticized from a strict reductionist point of view, because neither atoms nor bonds are observable in the sense of quantum mechanics, the topological and statistical interpretative approaches of quantum chemistry (quantum theory of atoms in molecules, electron localization function and maximum probability domain) provide consistent definitions which accommodate chemistry and quantum mechanics. |
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