Chemical bonding in molecules and complexes containing d-elements based on DFT

Monatshefte fur Chemie

Volumn 136, Issue 6, 2005, Pages 925-963

  Atanasov, Mihail ^a,b   Daul, Claude A ^b   Fowe, E Penka ^b  

^a INSTITUTE OF GENERAL AND INORGANIC CHEMISTRY   (Bulgaria)

^b UNIVERSITY OF FRIBOURG   (Switzerland)

Author keywords

Angular overlap model (AOM); DFT; Electronic localization function (ELF); Energy decomposition analysis (EDA); Laplacian of the electron density

Indexed keywords

INORGANIC COMPOUND; LIGAND; METAL COMPLEX;

ANALYTIC METHOD; BINDING AFFINITY; CHEMICAL BINDING; CHEMICAL BOND; COMPLEX FORMATION; DENSITY; DENSITY FUNCTIONAL THEORY; ELECTRON; ELECTRON TRANSPORT; INORGANIC CHEMISTRY; LIGAND BINDING; MAGNETISM; METAL BINDING; MOLECULAR INTERACTION; MOLECULE; REVIEW; SPECTROSCOPY; STRUCTURE ANALYSIS;

EID: 21144434845     PISSN: 00269247     EISSN: None     Source Type: Journal    
DOI: 10.1007/s00706-005-0310-2     Document Type: Review

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