Energetics of the homolytic C-H and C-Cl bond cleavages in polychlorobenzenes: The role of electronic and steric effects

Journal of Physical Chemistry A

Volumn 101, Issue 5, 1997, Pages 957-960

  Cioslowski, Jerzy ^a   Liu, Guanghua ^a   Moncrieff, David ^a  

^a FLORIDA STATE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BINDING ENERGY; CALCULATIONS; CHEMICAL BONDS; ELECTRONIC STRUCTURE; GEOMETRY; OPTIMIZATION; ORGANIC COMPOUNDS; PYROLYSIS;

BOND CLEAVAGE; BOND DISSOCIATION ENERGY; ELECTRONIC EFFECTS; ENERGETICS; POLYCHLOROBENZENE; STERIC EFFECTS; ZERO POINT ENERGY;

ORGANIC POLYMERS;

EID: 0030784375     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp963268e     Document Type: Article

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