Multiscale molecular modeling can be an effective tool to aid the development of biomass conversion technology: A perspective

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Title
Multiscale molecular modeling can be an effective tool to aid the development of biomass conversion technology: A perspective
Authors
Keywords
Density functional theory, Molecular mechanics, Biomass conversion, Ab initio, molecular dynamics, Pyrolysis, Solvent effects
Journal
CHEMICAL ENGINEERING SCIENCE
Volume 121, Issue -, Pages 217-235
Publisher
Elsevier BV
Online
2014-08-16
DOI
10.1016/j.ces.2014.08.019

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