Quantum chemistry of adsorption and hydrogenation of DBT and carbazole on NiMoS using ZINDO/I method

Molecular Simulation

Volumn 33, Issue 4-5, 2007, Pages 353-359

  Duan, A ^a   Gao, J ^a   Xu, C ^a   Wang, D ^a   Zhao, Z ^a   Dou, T ^b   Chung, K H ^c  

^a CHINA UNIVERSITY OF PETROLEUM   (China)

^b CHINA UNIVERSITY OF PETROLEUM   (China)

^c SYNCRUDE CANADA LTD   (Canada)

Author keywords

Carbazole; DBT; Hydrodenitrogenation; Hydrodesulfurization; Quantum chemistry research; ZINDO I

Indexed keywords

AROMATIC COMPOUNDS; CATALYSTS; COMPUTER SIMULATION; DESULFURIZATION; HYDROGENATION; MOLECULAR DYNAMICS; MOLYBDENUM COMPOUNDS;

CARBAZOLE; HYDRODENITROGENATION; QUANTUM CHEMISTRY RESEARCH; ZINDO-I;

QUANTUM CHEMISTRY;

EID: 34248594386     PISSN: 08927022     EISSN: 10290435     Source Type: Journal    
DOI: 10.1080/08927020601133375     Document Type: Conference Paper

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