Quantum chemical modeling studies of ethylbenzene dehydrogenase activity

International Journal of Quantum Chemistry

Volumn 112, Issue 8, 2012, Pages 1990-1999

  Szaleniec, MacIej ^a   Salwiński, Aleksander ^a   Borowski, Tomasz ^a   Heider, Johann ^b   Witko, Malgorzata ^a  

^a INSTITUTE OF CATALYSIS AND SURFACE CHEMISTRY   (Poland)

^b PHILIPPS UNIVERSITY MARBURG   (Germany)

Author keywords

DFT; ethylbenzene; ethylbenzene dehydrogenase; molybdenum enzyme

Indexed keywords

ACTIVE SITE; ALLYLBENZENE; C-H ACTIVATION; CARBOCATIONS; CLUSTER MODELS; DEHYDROGENASE ACTIVITY; DFT; DIFFERENT SUBSTRATES; INTERMEDIATE PRODUCT; KINETIC ASSAY; MODELING STUDIES; MOLYBDENUM ENZYME; MOLYBDENUM ENZYMES; QUANTUM CHEMICAL MODELING; REACTION MECHANISM; SECONDARY ALCOHOLS; STEREOSELECTIVE OXIDATIONS;

ACTIVATION ANALYSIS; ENZYMES; HYDROCARBONS; MOLYBDENUM; QUANTUM CHEMISTRY;

ETHYLBENZENE;

EID: 84858080119     PISSN: 00207608     EISSN: 1097461X     Source Type: Journal    
DOI: 10.1002/qua.23143     Document Type: Article

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