A comprehensive theoretical study on the hydrolysis of carbonyl sulfide in the neutral water

Journal of Computational Chemistry

Volumn 29, Issue 3, 2008, Pages 466-480

  Deng, Chao ^a   Li, Qiang Gen ^a   Ren, Yi ^a,b   Wong, Ning Bew ^b   Chu, San Yan ^c   Zhu, Hua Jie ^d  

^a SICHUAN UNIVERSITY   (China)

^b CITY UNIVERSITY OF HONG KONG   (Hong Kong)

^c NATIONAL TSING HUA UNIVERSITY   (Taiwan)

^d KUNMING INSTITUTE OF BOTANY   (China)

Author keywords

Carbonyl sulfide; Hydrolysis mechanism; Natural population analysis; Solvent effects; Temperature effects

Indexed keywords

CARBONYL SULFIDES; NATURAL POPULATION ANALYSIS; SOLVENT EFFECTS;

CHEMICAL BONDS; HYDRATION; HYDROLYSIS; ORGANIC SOLVENTS; REACTION KINETICS; THERMAL EFFECTS; WATER;

CARBON INORGANIC COMPOUNDS;

CARBONYL SULFIDE; SULFUR OXIDE; UNCLASSIFIED DRUG; WATER;

ARTICLE; CATALYSIS; CHEMICAL MODEL; CHEMICAL STRUCTURE; CHEMISTRY; CONFORMATION; HYDROLYSIS; TEMPERATURE;

CATALYSIS; HYDROLYSIS; MODELS, CHEMICAL; MODELS, MOLECULAR; MOLECULAR CONFORMATION; SULFUR OXIDES; TEMPERATURE; WATER;

EID: 38349175348     PISSN: 01928651     EISSN: 1096987X     Source Type: Journal    
DOI: 10.1002/jcc.20806     Document Type: Article

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