Browsing College of Science by Author "Kopp, Wassja A."
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Detailed kinetic modeling of dimethoxymethane. Part I: Ab initio thermochemistry and kinetics predictions for key reactions
Kopp, Wassja A.; Kröger, Leif C.; Döntgen, Malte; Jacobs, Sascha; Burke, Ultan; Curran, Henry J.; Heufer, Karl Alexander; Leonhard, Kai (Elsevier, 2017-09-06)Despite the great interest in oxygenated methyl ethers as diesel fuel additives and as fuels themselves, the influence of their methylenedioxy group(s) (0-CH2-0) has never been quantified using ab initio methods. In this ...