The active catalytic species and its isomerisation in the catalytic carbonylation of methanol - A density functional study

Journal of Molecular Structure: THEOCHEM

Volumn 540, Issue , 2001, Pages 91-100

  Wang, Cunguo ^a   Wang, Rongshun ^a   Su, Zhongmin ^a   Zhang, Xiyan ^a  

^a NORTHEAST NORMAL UNIVERSITY   (China)

Author keywords

Carbonylation; Density functional theory; Iridium; Isomerisation; Rhodium

Indexed keywords

IRIDIUM; METAL COMPLEX; METHANOL; RHODIUM COMPLEX;

ARTICLE; CALCULATION; CATALYSIS; CATALYST; CIS ISOMER; DENSITY; GAS; ISOMERISM; LIGAND BINDING; REACTION ANALYSIS; TRANS ISOMER;

EID: 0035805422     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0166-1280(00)00729-6     Document Type: Article

References (19)