Theoretical study of the structure and bonding in ThC 2 and UC 2

Journal of Physical Chemistry A

Volumn 116, Issue 1, 2012, Pages 747-755

  Pogány, Peter ^a   Kovács, Attila ^a,b   Varga, Zoltán ^b   Bickelhaupt, F Matthias ^c   Konings, Rudy J M ^a  

^a JOINT RESEARCH CENTRE   (Italy)

^b BUDAPEST UNIVERSITY OF TECHNOLOGY AND ECONOMICS   (Hungary)

^c VU UNIVERSITY AMSTERDAM   (Netherlands)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO METHOD; ACETYLIDES; BONDING PROPERTY; CLOSE-IN; GEOMETRICAL ARRANGEMENTS; MOLECULAR GEOMETRIES; MOLECULAR PROPERTIES; MULTICONFIGURATION; QUANTUM CHEMICAL CALCULATIONS; THEORETICAL STUDY; TRIANGULAR GEOMETRY; TRIANGULAR STRUCTURES;

CALCULATIONS; ELECTRONIC STATES; ELECTRONIC STRUCTURE; QUANTUM CHEMISTRY;

GEOMETRY;

EID: 84855855141     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp210190m     Document Type: Article

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