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Интеллектуальная Система Тематического Исследования НАукометрических данных |
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Quantum mechanical formalism may be incorporated directly into several basic qualitative models of chemistry; these models will be considered, and the consequences will be discussed. Topics include reaction operator representing chemical reaction (i.e. transformation of substances) as transformation of reagents’ distribution into distribution of products in a stoichiometric space, movement of a quantum figurative point along a potential profile of reaction, and frontier-orbital-like analysis of distribution of attacking particle over a substrate molecule. Several experimental evidences in favor of the statistical representation of quantum theory, are discussed. To describe evolution of individual quantum particle in the framework of Bohmian-like statistical representation, fractal trajectories are suggested. Direct application of quantum mechanics in chemistry opens a road to generalized mechanistic modeling in other fields of natural and social sciences.