A theoretical study on C-COOH homolytic bond dissociation enthalpies

Journal of Physical Chemistry A

Volumn 114, Issue 21, 2010, Pages 6263-6272

  Shi, Jing ^a   Huang, Xiong Yi ^a   Wang, Jun Peng ^a   Li, Run ^a  

^a UNIVERSITY OF SCIENCE AND TECHNOLOGY OF CHINA   (China)

Author keywords

[No Author keywords available]

Indexed keywords

BDE DATA; BIOCHEMICAL PROCESS; DECARBOXYLATION REACTIONS; DFT METHOD; HOMOLYTIC BONDS; LINEAR RELATIONSHIPS; MEAN ABSOLUTE DEVIATIONS; NEGATIVE CORRELATION; OPTIMAL METHODS; PROPIOLIC ACID; REMOTE SUBSTITUENT EFFECTS; ROOT-MEAN SQUARE DEVIATION; SUBSTITUTED BENZOIC ACIDS; THEORETICAL STUDY;

CARBOXYLIC ACIDS; CHEMICAL BONDS; DENSITY FUNCTIONAL THEORY; DISSOCIATION; ENTHALPY; HYDROCARBONS; ORGANIC ACIDS; PALLADIUM;

CARBOXYLATION;

EID: 77953011623     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp910498y     Document Type: Article

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