Computational modeling of catalytic reactivity

Molecular Simulation

Volumn 33, Issue 4-5, 2007, Pages 327-336

  Van Santen, R A ^a   Offermans, W K ^a   Malek, K ^a   Pidko, E A ^a  

^a EINDHOVEN UNIVERSITY OF TECHNOLOGY   (Netherlands)

Author keywords

Immobilized system; Photocatalysis; Theoretical catalysis; Transition metals; Zeolites

Indexed keywords

ACTIVATION ANALYSIS; COMPUTATIONAL METHODS; COMPUTER SIMULATION; DENSITY FUNCTIONAL THEORY; ORGANOMETALLICS; PHASE TRANSITIONS;

IMMOBILIZED SYSTEM; THEORETICAL CATALYSIS; TRANSITION-STATE STRUCTURES;

CATALYSIS;

EID: 34248577825     PISSN: 08927022     EISSN: 10290435     Source Type: Journal    
DOI: 10.1080/08927020601134969     Document Type: Conference Paper

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