Ab initio characterization of the structure, vibrational, and energetic properties of Br-·HOCl, Cl-·HOBr, and Br-·HOBr anionic complexes

Journal of Physical Chemistry A

Volumn 105, Issue 2, 2001, Pages 494-500

  Flowers, Bradley A ^a   Francisco, Joseph S ^a  

^a PURDUE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BINDING ENERGY; CALCULATIONS; CHARACTERIZATION; COMPLEXATION; ELECTRONIC STRUCTURE; MOLECULAR STRUCTURE; NEGATIVE IONS; OPTIMIZATION; PERTURBATION TECHNIQUES;

ANIONIC COMPLEX; MOLLER-PLESSET PERTURBATION TECHNIQUE; VIBRATIONAL FREQUENCY;

BARIUM COMPOUNDS;

EID: 0035137687     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp003229+     Document Type: Article

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