The molecular and electronic structure of the Mo12S24 macromolecule as a model of the active component of a hydrodesulfurization catalyst

Russian Journal of Physical Chemistry A

Volumn 80, Issue 7, 2006, Pages 1083-1087

  Zakharov, I I ^a   Voroshina, O V ^a   Startsev, A N ^a  

^a BORESKOV INSTITUTE OF CATALYSIS   (Russian Federation)

Author keywords

[No Author keywords available]

Indexed keywords

BOUNDARY CONDITIONS; CATALYSTS; CORRELATION METHODS; ELECTRON ENERGY LEVELS; ELECTRONIC STRUCTURE; MACROMOLECULES; MOLECULAR STRUCTURE; PROBABILITY DENSITY FUNCTION;

ADSORPTION COMPLEX; DONOR-ACCEPTOR INTERACTIONS; GEOMETRY OPTIMIZATIONS; HYDRODESULFURIZATION CATALYSTS;

MOLYBDENUM COMPOUNDS;

EID: 33750148533     PISSN: 00360244     EISSN: None     Source Type: Journal    
DOI: 10.1134/S0036024406070144     Document Type: Article

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