Article ID Journal Published Year Pages File Type
5394068 Computational and Theoretical Chemistry 2013 7 Pages PDF
Abstract
The first theoretical study of the hydrogen abstraction reaction from C4H10 by C4H molecule is presented in the work. A schematic potential energy surface of the title reaction obtained at the CCSD(T)//MP2 level considering ZPE correction.
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Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Preview
Computational study on the radical reaction C4H + C4H10
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