Toward a physical understanding of electron-sharing two-center bonds. II. Pseudo-potential based analysis of diatomic molecules

Theoretical Chemistry Accounts

Volumn 127, Issue 3, 2010, Pages 237-257

  Bitter, T ^a,b   Wang, S G ^a,c   Ruedenberg, K ^d   Schwarz, W H E ^a,c,d  

^a UNIVERSITY OF SIEGEN   (Germany)

^b Ernst Klett Verlag Redaktion Chemie   (Germany)

^c SHANGHAI JIAO TONG UNIVERSITY   (China)

^d IOWA STATE UNIVERSITY   (United States)

Author keywords

Bond energy analysis; Bond types; Covalence; Diatomics; Effective core potentials; Polar bond; Pseudo potentials

Indexed keywords

EID: 77957667486     PISSN: 1432881X     EISSN: None     Source Type: Journal    
DOI: 10.1007/s00214-010-0758-y     Document Type: Article

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