Computer simulation of conformational transformations of 1,3-dioxanes and their 2-sila and 2-bora analogs View Full Text


Ontology type: schema:ScholarlyArticle     


Article Info

DATE

2014-09

AUTHORS

V. V. Kuznetsov

ABSTRACT

The review considers the results of computer simulation of conformational transformations of 1,3-dioxanes, 1,3,2-dioxaborinanes, and 1,3-dioxa-2-silacyclohexanes in terms of HF, DFT, and MP2 quantum chemical approximations. The effect of intermolecular association with water and other substrates on the conformational transformations is discussed.

PAGES

1227-1246

Identifiers

URI

http://scigraph.springernature.com/pub.10.1134/s1070428014090012

DOI

http://dx.doi.org/10.1134/s1070428014090012

DIMENSIONS

https://app.dimensions.ai/details/publication/pub.1010177364


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