Computational study of bond dissociation enthalpies for lignin model compounds: β-5 Arylcoumaran

Chemical Physics Letters

Volumn 545, Issue , 2012, Pages 100-106

  Younker, Jarod M ^a   Beste, Ariana ^b   Buchanan III, A C ^c  

^a OAK RIDGE ASSOCIATED UNIVERSITIES   (United States)

^b Oak Ridge National Laboratory   (United States)

^c OAK RIDGE NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BOND DISSOCIATION ENTHALPIES; COMPUTATIONAL STUDIES; DENSITY FUNCTIONAL THEORIES (DFT); HOMOLYSIS; LIGNIN MODEL COMPOUND; MULTICONFIGURATION SELF-CONSISTENT FIELD THEORIES; POTENTIAL SOURCES;

CHEMICAL BONDS; DENSITY FUNCTIONAL THEORY; LIGNIN;

C (PROGRAMMING LANGUAGE);

EID: 84865540506     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2012.07.017     Document Type: Article

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