Structurally-dynamic models of substituted benzoic acids

Autor:	M D Elkin, A. F. Alykova, O. M. Alykova, G P Stefanova, V V Smirnov, Irina N. Zavestovskaya, A V Rybakov
Rok vydání:	2019
Předmět:	Quantitative Biology::Biomolecules History Basis (linear algebra) Chemistry Electronic structure Computer Science Applications Education Fragment (logic) Dynamic models Computational chemistry Physics::Atomic and Molecular Clusters Physics::Chemical Physics Adiabatic process Quantum
Zdroj:	Journal of Physics: Conference Series. 1189:012030
ISSN:	1742-6596 1742-6588
DOI:	10.1088/1742-6596/1189/1/012030
Popis:	On the basis of modelling not empirical quantum calculations of geometrical and electronic structure of some isomers of substituted benzoic acids are investigated regularity in behaviour of parameters of the adiabatic potential a carboxyl fragment.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::c28f21fe0bad9ef29bea5c560210060a https://doi.org/10.1088/1742-6596/1189/1/012030 Zobrazit plný text záznamu