Analysis of the Structural Specificity of ZrO2 Nanoparticles in Pillared Clays by Modeling the Condensation Process in ZrOCl2*8H2O Solutions Full article
| Conference |
2005 MRS Fall Meeting 28 Nov - 2 Dec 2005 , Boston |
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| Source | Combinatorial Methods and Informatics in Materials Science: symposium held November 28 - December 1, 2005, Boston, Massachusetts, USA (Materials Research Society symposium proceedings, Vol. 894) Compilation, Materials Research Society. Pennsylvania.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 | ||
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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: symposium held November 28 - December 1, 2005, Boston, Massachusetts, USA (Materials Research Society symposium proceedings, Vol. 894). – Materials Research Society., 2005. – C.191-196. – ISBN 1558998489. DOI: 10.1557/PROC-0894-LL06-05 WOS Scopus РИНЦ ANCAN OpenAlex
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: symposium held November 28 - December 1, 2005, Boston, Massachusetts, USA (Materials Research Society symposium proceedings, Vol. 894). – Materials Research Society., 2005. – C.191-196. – ISBN 1558998489. DOI: 10.1557/PROC-0894-LL06-05 WOS Scopus РИНЦ ANCAN OpenAlex
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 |