Interpretation of EXAFS spectra for sitting-atop complexes with the help of computational methods

Inorganica Chimica Acta

Volumn 359, Issue 4, 2006, Pages 1081-1092

  Hsiao, Ya Wen ^a   Ryde, Ulf ^a  

^a LUND UNIVERSITY   (Sweden)

Author keywords

Debye Waller factors; Density functional theory; EXAFS; Haem; Ligand exchange; Sitting atop complex

Indexed keywords

ACETONITRILE; COMPUTATION THEORY; DENSITY FUNCTIONAL THEORY; EXTENDED X RAY ABSORPTION FINE STRUCTURE SPECTROSCOPY; FITS AND TOLERANCES; METAL IONS; METALS; NITROGEN; QUANTUM THEORY; X RAY ABSORPTION;

DEBYE WALLER FACTOR; EXAFS; HAEM; LIGAND EXCHANGES; SITTING-ATOP COMPLEX;

CRYSTAL ATOMIC STRUCTURE;

EID: 32544451640     PISSN: 00201693     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.ica.2005.11.036     Document Type: Article

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