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Applied Catalysis A: General

Volumn 200, Issue 1, 2000, Pages 23-46

Applications of molecular modeling in heterogeneous catalysis research

(2) Broadbelt, Linda J a Snurr, Randall Q a

a Northwestern University (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ADSORPTION; ATOMS; COMPUTER SIMULATION; DIFFUSION; ELECTRONIC STRUCTURE; MATHEMATICAL MODELS; MOLECULES; NUCLEAR ENERGY; QUANTUM THEORY; THERMODYNAMIC PROPERTIES; TRANSPORT PROPERTIES;

ATOMISTIC SIMULATIONS; HIERARCHICAL MODELING; MICROKINETIC MODELING; MOLECULAR MODELING; PERIODIC STRUCTURES; QUANTUM CHEMISTRY; SPECTROSCOPIC PROPERTIES;

CATALYSIS;

EID: 0034726269 PISSN: 0926860X EISSN: None Source Type: Journal
DOI: 10.1016/S0926-860X(00)00648-7 Document Type: Review

Times cited : (107)

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