Ab initio potential-energy surface for the reaction Ca+HCI→CaCI+H

Journal of Chemical Physics

Volumn 122, Issue 20, 2005, Pages

  Verbockhaven, Gilles ^a   Sanz, Cristina ^a,b   Groenenboom, Gerrit C ^a   Roncero, Octavio ^b   Van Der Avoird, Ad ^a  

^a RADBOUD UNIVERSITY NIJMEGEN   (Netherlands)

^b INSTITUTO DE MATEMÁTICAS Y FÍSICA FUNDAMENTAL   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

GROUND ELECTRONIC STATE; LINEAR GEOMETRY; POTENTIAL-ENERGY SURFACE; REACTION PATH;

ELECTRONIC STRUCTURE; GEOMETRY; GROUND STATE; HYDROCHLORIC ACID; HYDROGEN; POTENTIAL ENERGY; VAN DER WAALS FORCES;

CALCIUM COMPOUNDS;

EID: 20844433927     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1899154     Document Type: Article

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