This article is cited in 26 scientific papers (total in 26 papers)
Structural studies of crystals of organic and organoelement compounds using modern quantum chemical calculations within the framework of the density functional theory
Abstract:
The review generalizes the results of structural studies of crystals of organic and organometallic compounds by modern quantum chemical calculations within the framework of the density functional theory reported in the last decade. Features of the software for such calculations are discussed. Examples of the use of quantum chemical calculations for the studies of the electronic structure, spectroscopic and other physicochemical properties of molecular crystals are presented. The bibliography includes 223 references.
Received: 03.02.2011
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Document Type:
Article
Language: English
Original paper language: Russian
Citation:
A. A. Korlyukov, M. Yu. Antipin, “Structural studies of crystals of organic and organoelement compounds using modern quantum chemical calculations within the framework of the density functional theory”, Usp. Khim., 81:2 (2012), 105–129; Russian Chem. Reviews, 81:2 (2012), 105–129
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https://www.mathnet.ru/eng/rcr6
https://doi.org/10.1070/RC2012v081n02ABEH004213
https://www.mathnet.ru/eng/rcr/v81/i2/p105
This publication is cited in the following 26 articles: