Theoretical approaches to estimating homolytic bond dissociation energies of organocopper and organosilver compounds

Journal of Physical Chemistry A

Volumn 116, Issue 35, 2012, Pages 8910-8917

  Rijs, Nicole J ^a,b   Brookes, Nigel J ^c   O'Hair, Richard A J ^a,b   Yates, Brian F ^c  

^a UNIVERSITY OF MELBOURNE   (Australia)

^b UNIVERSITY OF MELBOURNE   (Australia)

^c UNIVERSITY OF TASMANIA   (Australia)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO METHOD; ALKYL LIGANDS; BOND DISSOCIATION ENERGIES; BOND ENERGIES; CCSD; COMPUTATIONAL EXPENSE; ERROR MARGINS; FRAGMENTATION PATHWAYS; FUNCTIONALS; GOLD STANDARDS; HOMOLYTIC BONDS; HOMOLYTIC DISSOCIATION; THEORETICAL APPROACH;

CALCULATIONS; ELECTRIC CIRCUIT BREAKERS; ORGANOMETALLICS; SILVER; SILVER COMPOUNDS; THERMOCHEMISTRY;

CHEMICAL BONDS;

COPPER; ORGANOMETALLIC COMPOUND; SILVER;

ARTICLE; CHEMISTRY; QUANTUM THEORY; THERMODYNAMICS;

COPPER; ORGANOMETALLIC COMPOUNDS; QUANTUM THEORY; SILVER; THERMODYNAMICS;

EID: 84865971474     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp305718z     Document Type: Article

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