Ab initio treatment of the chemical reaction precursor complex Br( 2P)-HCN. 2. Bound-state calculations and infrared spectra

Journal of Physical Chemistry A

Volumn 111, Issue 31, 2007, Pages 7270-7281

  Fishchuk, Anna V ^a   Merritt, Jeremy M ^b,c   Groenenboom, Gerrit C ^a   Van Der Avoird, Ad ^a  

^a RADBOUD UNIVERSITY NIJMEGEN   (Netherlands)

^b The University of North Carolina at Chapel Hill

^c EMORY UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BINDING ENERGY; ELECTRONIC STATES; GROUND STATE; INFRARED SPECTROSCOPY; ISOMERS; QUANTUM THEORY;

AB INITIO TREATMENT; BOUND STATE CALCULATIONS; ROVIBRONIC ENERGY LEVELS; THREE DIMENSIONAL CALCULATIONS;

BROMINE COMPOUNDS;

EID: 34548037930     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp0684978     Document Type: Article

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