Quantitative structure-activity relationship studies on ironporphyrin-catalyzed cyclohexane oxidation with PhIO

Journal of Molecular Catalysis A: Chemical

Volumn 304, Issue 1-2, 2009, Pages 40-46

  Liu, Nian ^a   Jiang, Guo Fang ^a   Guo, Can Cheng ^a   Tan, Ze ^a  

^a HUNAN UNIVERSITY   (China)

Author keywords

Cyclohexane; Ironporphyrin; Molecular orbital; QSAR; Quantum chemistry

Indexed keywords

BIOMIMETIC OXIDATIONS; CATALYST DESIGNS; CATALYTIC ACTIVITIES; CYCLOHEXANE OXIDATIONS; CYCLOHEXANOL; ELECTRON DENSITIES; ELECTRON POPULATION ANALYSIS; ELECTRON-WITHDRAWING SUBSTITUENTS; ENERGY LEVELS; FRONTIER MOLECULAR ORBITALS; HYDROCARBON OXIDATIONS; IRONPORPHYRIN; METAL CORES; METALLOPORPHYRIN; MODEL REACTIONS; MULTIPLE LINEAR REGRESSIONS; PARTITION COEFFICIENTS; PHENYL RINGS; QSAR; QSAR MODELS; QSAR STUDIES; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP STUDIES; QUANTUM CHEMICAL CALCULATIONS; QUANTUM CHEMICAL DESCRIPTORS; REACTION RATE CONSTANTS;

BIOMIMETICS; CATALYSIS; CATALYST ACTIVITY; CYCLOHEXANE; ELECTROCHEMICAL SENSORS; ELECTRONS; FULLERENES; HYDROCARBONS; HYDROXYLATION; MOLECULAR GRAPHICS; MOLECULAR MODELING; MOLECULAR ORBITALS; OXIDATION; PORPHYRINS; QUANTUM THEORY; RATE CONSTANTS; SULFUR COMPOUNDS;

REACTION KINETICS;

EID: 64849087013     PISSN: 13811169     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.molcata.2009.01.021     Document Type: Article

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