Thermochemistry of the hypobromous and hypochlorous acids, HOBr and HOCl

Journal of Physical Chemistry A

Volumn 110, Issue 17, 2006, Pages 5887-5892

  Denis, Pablo A ^a  

^a UNIVERSIDAD DE LA REPÚBLICA   (Uruguay)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL BONDS; HALOGEN COMPOUNDS; HARMONIC ANALYSIS; HYDROGEN; PHASE EQUILIBRIA; THERMODYNAMIC PROPERTIES;

ANHARMONIC EFFECTS; BOND ENERGY; COUPLED CLUSTER THEORY; EQUILIBRIUM CONSTANT; HYPOCHLOROUS ACIDS; THERMOCHEMISTRY;

ORGANIC ACIDS;

EID: 33744464020     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp056950u     Document Type: Article

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61. Basis sets were obtained from the Extensible Computational Chemistry Environment Basis Set Database, version 02/25/04, as developed and distributed by the Molecular Science Computing Facility, Environmental and Molecular Sciences Laboratory, which is part of the Pacific Northwest Laboratory, P. O. Box 999, Richland, WA 99352, and funded by the U.S. Department of Energy. The Pacific Northwest Laboratory is a multiprogram laboratory operated by Battelle Memorial Institute for the U.S. Department of Energy under Contract DE-AC06-76RLO 1830. Contact Karen Schuchardt for further information.