Ab initio computed diabatic potential energy surfaces of OH-HCI

Journal of Chemical Physics

Volumn 122, Issue 24, 2005, Pages

  Wormer, Paul E S ^a   Kłos, Jacek A ^a,b   Groenenboom, Gerrit C ^a   Van Der Avoird, Ad ^a  

^a RADBOUD UNIVERSITY NIJMEGEN   (Netherlands)

^b Bldg 142   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

DIABATIC POTENTIALS; EIGENSTATES; ELECTROSTATIC MULTIPOLE EXPANSION; POTENTIAL ENERGY SURFACES (PES);

COMPUTATIONAL METHODS; GROUND STATE; MATHEMATICAL TRANSFORMATIONS; MATRIX ALGEBRA; OPTIMIZATION; POTENTIAL ENERGY; PROBLEM SOLVING; REACTION KINETICS;

SURFACE TREATMENT;

EID: 22544453601     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1949198     Document Type: Article

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