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Quantum chemistry / Catalysis / Benzene / Density functional theory / Chemical kinetics / Chemistry / Computational chemistry / ONIOM
Date: 2014-08-18 18:10:30
Quantum chemistry
Catalysis
Benzene
Density functional theory
Chemical kinetics
Chemistry
Computational chemistry
ONIOM

MECHANISTIC MODEL OF HYDROCARBON EPOXIDATION The researchers are using kinetics and quantum mechanical calculations to elucidate the catalytic reaction mechanism of hydrocarbon epoxidation. Principal Investigators: Linda

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