Ab initio treatment of the chemical reaction precursor complex C1( 2P)-HF. 1. Three-dimensional diabatic potential energy surfaces

Journal of Physical Chemistry A

Volumn 110, Issue 16, 2006, Pages 5273-5279

  Fishchuk, Anna V ^a   Wormer, Paul E S ^a   Van Der Avoird, Ad ^a  

^a RADBOUD UNIVERSITY NIJMEGEN   (Netherlands)

Author keywords

[No Author keywords available]

Indexed keywords

BINDING ENERGY; ELECTROSTATICS; GROUND STATE; HYDROGEN BONDS; POTENTIAL ENERGY; REACTION KINETICS; SURFACE CHEMISTRY;

CHEMICAL REACTION PRECURSOR COMPLEX; DIABATIC POTENTIAL SURFACES; POTENTIAL ENERGY SURFACES; THREE-DIMENSIONAL COMPUTATIONS;

COMPLEXATION;

EID: 33646433434     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp0557619     Document Type: Article

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