Analysis of the Structural Specificity of ZrO2 Nanoparticles in Pillared Clays by Modeling the Condensation Process in ZrOCl2.8H2O Solutions Full article
Conference |
MRS 2005 Fall Meeting Symposium LL : Combinatorial Methods and Informatics in Materials Science 28 Nov - 2 Dec 2005 , Boston, MA |
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Source | Combinatorial Methods and Informatics in Materials Science: Volume 894 (MRS Proceedings) 1st Edition Compilation, Materials Research Society; 1st edition (May 17, 2006). 2005. 356 c. ISBN 1558998489. |
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Journal |
MRS Online Proceedings Library
ISSN: 1946-4274 |
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Output data | Year: 2005, Volume: 894, Article number : 08940605, Pages count : 6 DOI: 10.1557/PROC-0894-LL06-05 | ||
Tags | Clay; Condensation; Molecular dynamics; Structural analysis; Zirconium compounds | ||
Authors |
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Affiliations |
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Abstract:
A combination of quantum-chemical approaches including DFT, semiempirical PM3 and molecular mechanics (force field MM+) methods has been applied for analysis of the structure of polynuclear hydroxocomplexes of Zr in diluted solutions of its oxochloride as precursors of zirconia nanoparticles in zirconia-pillared clays. Relative stability of complexes differing by their size and shape has been estimated.
Cite:
Mezentseva N.V.
, Sadykov V.A.
, Avdeev V.I.
, Kuznetsov V.L.
Analysis of the Structural Specificity of ZrO2 Nanoparticles in Pillared Clays by Modeling the Condensation Process in ZrOCl2.8H2O Solutions
In compilation Combinatorial Methods and Informatics in Materials Science: Volume 894 (MRS Proceedings) 1st Edition. – Materials Research Society; 1st edition (May 17, 2006)., 2005. – ISBN 1558998489. DOI: 10.1557/PROC-0894-LL06-05 WOS Scopus РИНЦ
Analysis of the Structural Specificity of ZrO2 Nanoparticles in Pillared Clays by Modeling the Condensation Process in ZrOCl2.8H2O Solutions
In compilation Combinatorial Methods and Informatics in Materials Science: Volume 894 (MRS Proceedings) 1st Edition. – Materials Research Society; 1st edition (May 17, 2006)., 2005. – ISBN 1558998489. DOI: 10.1557/PROC-0894-LL06-05 WOS Scopus РИНЦ
Dates:
Published print: | Jan 1, 2005 |
Published online: | Feb 26, 2011 |
Identifiers:
Web of science | WOS:000238287300023 |
Scopus | 2-s2.0-33745335367 |
Elibrary | 15045711 |
Chemical Abstracts | 2006:535361 |
Chemical Abstracts (print) | 145:199104 |
OpenAlex | W2118713026 |