A comparison of the electronic structure and NO adsorption on the $(0 0 1)-V_{2}O_{5}$ surfaces and $(0 0 1)-V_{2}O_{5}$ surfaces with Mo defects : DFT cluster studies

Bibliographic description

title:	A comparison of the electronic structure and NO adsorption on the $(0 0 1)-V_{2}O_{5}$ surfaces and $(0 0 1)-V_{2}O_{5}$ surfaces with Mo defects : DFT cluster studies
author:	Kornelak Paweł , Michalak Artur , Najbar Mieczysława
journal title:	Catalysis Today
title of volume:	Oxide-based materials in catalysis : 36th Polish Conference on Catalysis, 17-19 March 2004
volume:	101
issue:	2
date of publication :	2005
pages:	175-183
ISSN:	0920-5861
eISSN:	1873-4308
DOI:	10.1016/j.cattod.2005.01.015
notes:	Bibliogr. s. 182-183.
language:	English
journal language:	English
keywords in English:	molybdena-vanadia solid solution, NO adsorption, DFT calculation, molecular electrostatic potential, Fukui function
affiliation:	Wydział Chemii : Zakład Chemii Teoretycznej im. K. Gumińskiego, Wydział Chemii : Zakład Chemii Nieorganicznej
type:	journal article
subtype:	academic paper

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