Article ID Journal Published Year Pages File Type
5393417 Computational and Theoretical Chemistry 2015 8 Pages PDF
Abstract
Fragment Molecular Orbital (FMO) analysis for 1TS1, 3TS1, 1TS4 and 3TS4, which relate to the C-H bond of CH4 activation catalyzed by VO2+(1A1/3A′).125
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Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Preview
A theoretical study of C-H bond of CH4 activation catalyzed by VO2+ in gas phase
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