Computational Study of Bond Dissociation Enthalpies for a Large Range of Native and Modified Lignins

Lignin is a major component of plant cell walls that is typically underutilized in selective conversion strategies for renewable fuels and chemicals. The mechanisms by which thermal and catalytic treatments deconstruct lignin remain elusive, which is where quantum mechanical calculations can offer f...

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Bibliographic Details
Main Authors: Kim, S, Chmely, S, Nimos, MR, Bomble, Y, Foust, T, Paton, R, Beckham, G
Format: Journal article
Language:English
Published: 2011