Published in
Royal Society of Chemistry, Physical Chemistry Chemical Physics, 1(17), p. 200-208
DOI: 10.1039/c4cp03004d
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Towards high-level theoretical studies of large biodiesel molecules: an ONIOM [QCISD(T)/CBS:DFT] study of hydrogen abstraction reactions of CnH2n+1COOCmH2m+1 + H
Journal article published in 2015 by
Lidong Zhang,
Peng Zhang 
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Abstract
Recent interest in biodiesel combustion urges the need for the theoretical chemical kinetics of large alkyl ester molecules.