Mechanism insight into the fast pyrolysis of xylose, xylobiose and xylan by combined theoretical and experimental approaches

A consistent and accurate<i>ab initio</i>parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu

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Natural Sciences, Chemistry, Physics +14

Density-functional exchange-energy approximation with correct asymptotic behavior

Axel D. Becke · Physical review. A, General physics · 1988 · 53.5K citations

Natural Sciences, Chemistry, Physics +17

KiSThelP: A program to predict thermodynamic properties and rate constants from quantum chemistry results^†

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Overview of fuel properties of biomass fast pyrolysis oils

Qiang Lü, Wenzhi Li · Energy Conversion and Management · 2009 · 838 citations

Engineering, Chemical Engineering, Materials Science +13

Calculation of the Rate of Elementary Association Reactions

E. P. Wigner · The Journal of Chemical Physics · 1937 · 607 citations

Natural Sciences, Physics, Chemical Kinetics +10