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.
Atoms and bonds in molecules and chemical explanations / Causa', Mauro; Andreas, Savin; Bernard, Silvi. - In: FOUNDATIONS OF CHEMISTRY. - ISSN 1572-8463. - 16:1(2014), pp. 3-26. [10.1007/s10698-013-9192-2]
Atoms and bonds in molecules and chemical explanations
CAUSA', Mauro;
2014
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.I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.


