Ab initio and kinetics study of the thermal unimolecular decomposition of 2-furfuryl alcohol

Xing, LL; Lian, LC; Cui, JT; Wang, JL; Cheng, ZJ; Wang, X

Cheng, ZJ (corresponding author), Tianjin Univ, Sch Environm Sci & Engn, Tianjin 300072, Peoples R China.

COMPUTATIONAL AND THEORETICAL CHEMISTRY, 2021; 1202 ():

Abstract

To uncover the fundamental chemistry of thermal unimolecular decomposition of 2-furfuryl alcohol, the quantum chemical calculations and reaction kinet......

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