Analysis of the Structural Specificity of ZrO2 Nanoparticles in Pillared Clays by Modeling the Condensation Process in ZrOCl2.8H2O Solutions Научная публикация
Конференция |
MRS 2005 Fall Meeting Symposium LL : Combinatorial Methods and Informatics in Materials Science 28 нояб. - 2 дек. 2005 , Boston, MA |
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Сборник | Combinatorial Methods and Informatics in Materials Science: Volume 894 (MRS Proceedings) 1st Edition Сборник, Materials Research Society; 1st edition (May 17, 2006). 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: 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
В сборнике 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
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 |