Trinuclear tantalum clusters grafted to hydroxylated silica surfaces: A density-functional embedded-cluster study

Document type:: Article
Author(s):: Nasluzov, V. A.; Parker, Shane M.; Genest, A.; Shor, A. M.; Ivanova-Shor, E. A.; Roesch, Notker
Title:: Trinuclear tantalum clusters grafted to hydroxylated silica surfaces: A density-functional embedded-cluster study
Abstract:: To identify the coordination modes of bare and hydrogenated trinuclear tantalum species on hydroxylated silica, we computationally examined models of Ta3H (n) (
Journal title:: KINETICS AND CATALYSIS
Year:: 2015
Journal volume:: 56
Month:: SEP
Journal issue:: 5
Pages contribution:: 631-639
Language:: English
Fulltext / DOI:: doi:10.1134/S0023158415050134
Publisher:: MAIK NAUKA/INTERPERIODICA/SPRINGER
Print-ISSN:: 0023-1584
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