Comparative assessment of density functional methods for 3d transition-metal chemistry

Journal of Chemical Physics

Volumn 124, Issue 22, 2006, Pages

  Zhao, Yan ^a   Truhlar, Donald G ^a  

^a NONE

Author keywords

[No Author keywords available]

Indexed keywords

ATOMIC PHYSICS; BINDING ENERGY; DIMERS; PROBABILITY DENSITY FUNCTION; REACTION KINETICS; THREE DIMENSIONAL;

3D TRANSITION-METAL CHEMISTRY; DENSITY FUNCTIONAL METHODS; METAL-LIGAND DIATOMICS; THERMOCHEMISTRY;

TRANSITION METALS;

FLUORIDE; LIGAND; METAL; OXIDE; TRANSITION ELEMENT;

ALGORITHM; ARTICLE; CHEMICAL MODEL; CHEMISTRY; COMPUTER PROGRAM; HEAT; HYDROGEN BOND; KINETICS; METHODOLOGY; PHYSICAL CHEMISTRY; TEMPERATURE; THEORETICAL MODEL;

ALGORITHMS; CHEMISTRY, PHYSICAL; FLUORIDES; HEAT; HYDROGEN BONDING; KINETICS; LIGANDS; METALS; MODELS, CHEMICAL; MODELS, THEORETICAL; OXIDES; SOFTWARE; TEMPERATURE; TRANSITION ELEMENTS;

EID: 33745139466     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2202732     Document Type: Article

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