Showing papers by "Pavel Hobza published in 1978"
12 citations
TL;DR: In this paper, the electronic structure of α-quartz and analogous systems derived either by substitution of Si atoms by Al atoms or by introducing an additional ion (Li 4, Be 2+, B 3+, Na +, Mg 2+
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TL;DR: The present state of the theory of chemical reactivity, based on the methods of quantum chemistry and statistical thermodynamics, is discussed in this article, where reactions in the gaseous phase and in solution are examined.
Abstract: This critical review deals with the present state of the theory of chemical reactivity, based on the methods of quantum chemistry and statistical thermodynamics. Reactions in the gaseous phase and in solution are examined. The static and dynamic theories of reaction rates are analysed. Catalytic reactions are discussed briefly. The bibliography contains 272 references.