Theoretical investigations into trioxo group 7 compounds LRO3 with perfluorated ligands

Polyhedron

Volumn 26, Issue 2, 2007, Pages 486-492

  Lein, Matthias ^a   Hammerl, Anton ^a   Hermann, Holger L ^a   Schwerdtfeger, Peter ^a  

^a MASSEY UNIVERSITY   (New Zealand)

Author keywords

Density functional calculations; Group 7 compounds; NBO analysis; Perfluorated ligands

Indexed keywords

ATOMS; DENSITY FUNCTIONAL THEORY; MANGANESE COMPOUNDS; RHENIUM COMPOUNDS; WAVE FUNCTIONS;

DENSITY-BASED; DENSITY-FUNCTIONAL CALCULATIONS; ENERGY; GROUP 7 COMPOUND; METAL ATOMS; NBO ANALYSIS; PERFLUORATED LIGAND; PSEUDOPOTENTIALS; RELATIVISTICS; THEORETICAL INVESTIGATIONS;

LIGANDS;

EID: 33845971940     PISSN: 02775387     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.poly.2006.08.013     Document Type: Article

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