Surprising electronic structure of the BeH- dimer: A full-configuration-interaction study

Journal of Physical Chemistry A

Volumn 117, Issue 1, 2013, Pages 192-199

  Verdicchio, Marco ^a,b   Bendazzoli, Gian Luigi ^c   Evangelisti, Stefano ^a   Leininger, Thierry ^a  

^a CNRS   (France)

^b UNIVERSITY OF PERUGIA   (Italy)

^c UNIVERSITY OF BOLOGNA   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

BASIS SETS; BERYLLIUM HYDRIDES; BONDED SYSTEMS; ELECTRONIC CHARGES; HYDROGEN ATOMS; HYDROGEN POSITIONS; INTERNUCLEAR DISTANCES; ION STRUCTURES; LEWIS STRUCTURE; NEGATIVE CHARGE;

ATOMS; BERYLLIUM; CHEMICAL BONDS; ELECTRONEGATIVITY; HYDROGEN;

ELECTRONIC STRUCTURE;

EID: 84872295621     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp310200j     Document Type: Article

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