EHF theory of chemical reactions V. Nature of manganese-oxygen bonds by hybrid density functional theory (DFT) and coupled-cluster (CC) methods

International Journal of Quantum Chemistry

Volumn 85, Issue 1, 2001, Pages 34-43

  Isobe, H ^a   Soda, T ^a   Kitagawa, Y ^a   Takano, Y ^a   Kawakami, T ^a   Yoshioka, Y ^a   Yamaguchi, K ^a  

^a OSAKA UNIVERSITY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

BINDING ENERGY; CHEMICAL BONDS; COMPLEXATION; DISSOCIATION; IONS; OXIDATION; OXIDES; OXYGEN; POTENTIAL ENERGY; PROBABILITY DENSITY FUNCTION; REACTION KINETICS;

HARTREE-FOCK METHODS; HYBRID DENSITY FUNCTIONAL THEORY; OXYGENATION REACTIONS; TRANSITION METAL OXIDES;

MANGANESE;

EID: 0035812880     PISSN: 00207608     EISSN: None     Source Type: Journal    
DOI: 10.1002/qua.1099     Document Type: Article

References (52)