caa a22 4500 465808220 CHVBK 20180323112109.0 cr unu---uuuuu 170327e19900501xx s 000 0 eng 10.1007/BF00641340 doi (NATIONALLICENCE)springer-10.1007/BF00641340 Quantum-chemical investigations of the structural states of alo3 fragments in oxide lattices [Elektronische Daten] [A. Pel'menshchikov, M. Édisherashvili, D. Khuroshvili, G. Tsitsishvili, G. Zhidomirov] 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 $${}_{{}_{\text{O}}/}Al_{\backslash _O }^{/^{\text{O}} } $$ 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. Plenum Publishing Corporation, 1990 Pel'menshchikov A. Institute for Catalysis, Siberian Branch, USSR Academy of Sciences, Novosibirsk aut Édisherashvili M. Institute for Catalysis, Siberian Branch, USSR Academy of Sciences, Novosibirsk aut Khuroshvili D. Institute for Catalysis, Siberian Branch, USSR Academy of Sciences, Novosibirsk aut Tsitsishvili G. Institute for Catalysis, Siberian Branch, USSR Academy of Sciences, Novosibirsk aut Zhidomirov G. Institute for Catalysis, Siberian Branch, USSR Academy of Sciences, Novosibirsk aut Theoretical and Experimental Chemistry Kluwer Academic Publishers 26/3(1990-05-01), 312-317 0040-5760 26:3<312 1990 26 11237 https://doi.org/10.1007/BF00641340 text/html Onlinezugriff via DOI 1 brief-communication jats NATIONALLICENCE 856 40 https://doi.org/10.1007/BF00641340 text/html Onlinezugriff via DOI NATIONALLICENCE 700 1- Pel'menshchikov A. Institute for Catalysis, Siberian Branch, USSR Academy of Sciences, Novosibirsk aut NATIONALLICENCE 700 1- Édisherashvili M. Institute for Catalysis, Siberian Branch, USSR Academy of Sciences, Novosibirsk aut NATIONALLICENCE 700 1- Khuroshvili D. Institute for Catalysis, Siberian Branch, USSR Academy of Sciences, Novosibirsk aut NATIONALLICENCE 700 1- Tsitsishvili G. Institute for Catalysis, Siberian Branch, USSR Academy of Sciences, Novosibirsk aut NATIONALLICENCE 700 1- Zhidomirov G. Institute for Catalysis, Siberian Branch, USSR Academy of Sciences, Novosibirsk aut NATIONALLICENCE 773 0- Theoretical and Experimental Chemistry Kluwer Academic Publishers 26/3(1990-05-01), 312-317 0040-5760 26:3<312 1990 26 11237 Metadata rights reserved Springer special CC-BY-NC licence nationallicence BK010053 XK010053 XK010000 NATIONALLICENCE NATIONALLICENCE NL-springer