Covalency in the f-element-chalcogen bond. Computational studies of [M(N(EPH2)2)3] (M = La, U, Pu; E = O, S, Se, Te)

Journal of Alloys and Compounds

Volumn 444-445, Issue SPEC. ISS., 2007, Pages 369-375

  Ingram, Kieran I M ^a   Kaltsoyannis, Nikolas ^a   Gaunt, Andrew J ^b   Neu, Mary P ^b  

^a UNIVERSITY COLLEGE LONDON   (United Kingdom)

^b LOS ALAMOS NATIONAL LABORATORY   (United States)

Author keywords

Actinide molecules; Covalency; DFT; Electronic structure; Separation

Indexed keywords

ACTINIDES; COMPUTATIONAL METHODS; COVALENT BONDS; ELECTRONIC STRUCTURE; MOLECULAR ORBITALS;

ACTINIDE MOLECULES; MULLIKEN OVERLAP POPULATIONS; NATURAL CHARGE ANALYSIS;

CHALCOGENIDES;

EID: 34548119903     PISSN: 09258388     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jallcom.2007.03.048     Document Type: Article

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