Radical coupling reactions in lignin synthesis: A density functional theory study

Journal of Physical Chemistry B

Volumn 116, Issue 16, 2012, Pages 4760-4768

  Sangha, Amandeep K ^a   Parks, Jerry M ^a   Standaert, Robert F ^a,b   Ziebell, Angela ^a,c   Davis, Mark ^a,c   Smith, Jeremy C ^a,b  

^a OAK RIDGE NATIONAL LABORATORY   (United States)

^b UNIVERSITY OF TENNESSEE   (United States)

^c NATIONAL RENEWABLE ENERGY LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

DENSITY FUNCTIONAL THEORY; DIMERIZATION; LIGNIN; PLANT CELL CULTURE; REACTION INTERMEDIATES; SYNTHESIS (CHEMICAL);

CROSS COUPLING REACTIONS; DIMER FORMATION; HETEROGENEOUS POLYMERS; LIGNIN SYNTHESIS; MONOLIGNOLS; PLANT CELL WALL; PLANT STEMS; RADICAL COUPLING REACTIONS; RADICAL-RADICAL COUPLING; REACTION ENTHALPIES; SINAPYL ALCOHOLS; SPIN DENSITIES;

CHEMICAL BONDS;

FREE RADICAL; LIGNIN;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; QUANTUM THEORY; SYNTHESIS;

FREE RADICALS; LIGNIN; MOLECULAR STRUCTURE; QUANTUM THEORY;

EID: 84860305329     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp2122449     Document Type: Article

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