Quantum-Chemical Investigations of the Structural States of AlO3 Fragments in Oxide Lattices ArticleGenre_short.SHORT_COMMUNICATION
Journal |
Theoretical and Experimental Chemistry
ISSN: 0040-5760 , E-ISSN: 1573-935X |
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Output data | Year: 1990, Volume: 26, Number: 3, Pages: 312-317 Pages count : 6 DOI: 10.1007/BF00641340 | ||||
Tags | Oxide; Silicate; Structural State; Chemical Interaction; Molecular Approach | ||||
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Abstract:
Developing the ideas of G. V. Gibbs concerning the decisive part played by local chemical interactions in silicates, it is proposed to employ a molecular approach to explain the arrangement of the structural elements of a compound in oxide lattices. The possibility of such an approach is illustrated by a quantum-chemical treatment of the coordination of the structural element O/Al/O∖OO/Al∖O/O in a number of oxides. The calculations were carried out by the MINDO/3 method and by a nonempirical method in the basis STO-3G.
Cite:
Pelʹmenshchikov A.G.
, Edisherashvili M.O.
, Khuroshvili D.V.
, Tsitsishvili G.V.
, Zhidomirov G.M.
Quantum-Chemical Investigations of the Structural States of AlO3 Fragments in Oxide Lattices
Theoretical and Experimental Chemistry. 1990. V.26. N3. P.312-317. DOI: 10.1007/BF00641340 Scopus РИНЦ
Quantum-Chemical Investigations of the Structural States of AlO3 Fragments in Oxide Lattices
Theoretical and Experimental Chemistry. 1990. V.26. N3. P.312-317. DOI: 10.1007/BF00641340 Scopus РИНЦ
Original:
Пельменщиков А.Г.
, Эдишерашвили М.О.
, Хурошвили Д.В.
, Цицишвили Г.В.
, Жидомиров Г.М.
Квантовохимическое исследование структурных состояний фрагмента AlO3 в решетках оксидов
Теоретическая и экспериментальная химия. 1990. Т.26. №3. С.334-340. WOS РИНЦ
Квантовохимическое исследование структурных состояний фрагмента AlO3 в решетках оксидов
Теоретическая и экспериментальная химия. 1990. Т.26. №3. С.334-340. WOS РИНЦ
Dates:
Submitted: | Sep 14, 1989 |
Published print: | May 1, 1990 |
Identifiers:
Scopus | 2-s2.0-84951607741 |
Elibrary | 30658797 |
OpenAlex | W2003276467 |
Citing:
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