Analysis of the Structural Specificity of ZrO2 Nanoparticles in Pillared Clays by Modeling the Condensation Process in ZrOCl2*8H2O Solutions Научная публикация
| Конференция |
2005 MRS Fall Meeting 28 нояб. - 2 дек. 2005 , Boston |
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| Сборник | Combinatorial Methods and Informatics in Materials Science: symposium held November 28 - December 1, 2005, Boston, Massachusetts, USA (Materials Research Society symposium proceedings, Vol. 894) Сборник, Materials Research Society. Pennsylvania.2005. 356 c. ISBN 1558998489. |
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| Журнал |
MRS Online Proceedings Library
ISSN: 1946-4274 |
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| Вых. Данные | Год: 2005, Том: 894, Номер статьи : 08940605, Страниц : 6 DOI: 10.1557/PROC-0894-LL06-05 | ||
| Ключевые слова | Clay; Condensation; Molecular dynamics; Structural analysis; Zirconium compounds | ||
| Авторы |
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| Организации |
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Реферат:
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.
Библиографическая ссылка:
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
В сборнике 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 CAPlusCA OpenAlex
Analysis of the Structural Specificity of ZrO2 Nanoparticles in Pillared Clays by Modeling the Condensation Process in ZrOCl2*8H2O Solutions
В сборнике 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 CAPlusCA OpenAlex
Даты:
| Опубликована в печати: | 1 янв. 2005 г. |
| Опубликована online: | 26 февр. 2011 г. |
Идентификаторы БД:
| Web of science: | WOS:000238287300023 |
| Scopus: | 2-s2.0-33745335367 |
| РИНЦ: | 15045711 |
| Chemical Abstracts: | 2006:535361 |
| Chemical Abstracts (print): | 145:199104 |
| OpenAlex: | W2118713026 |