Theoretical study of the mechanism of valence tautomerism in cobalt complexes

Journal of Physical Chemistry A

Volumn 114, Issue 49, 2010, Pages 12928-12935

  Sato, Daisuke ^a   Shiota, Yoshihito ^a   Juhász, Gergely ^a   Yoshizawa, Kazunari ^a  

^a KYUSHU UNIVERSITY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

BIPYRIDINES; CATECHOLATE; COBALT COMPLEXES; COMPLEX DEFORMATION; CROSSING POINT; DFT METHOD; DOUBLET GROUND STATE; ENERGY MINIMA; EXPERIMENTAL VALUES; HIGH SPINS; MINIMUM ENERGY; MINIMUM ENERGY PATHS; RELAXATION MECHANISM; SEMIQUINONES; SPIN STATE; THEORETICAL STUDY;

COBALT; ELECTRONIC STATES; ENERGY GAP; POTENTIAL ENERGY; POTENTIAL ENERGY SURFACES; QUANTUM CHEMISTRY; REACTION KINETICS; SOLIDS; SPIN DYNAMICS;

COBALT COMPOUNDS;

COBALT; ORGANOMETALLIC COMPOUND;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; QUANTUM THEORY;

COBALT; MOLECULAR STRUCTURE; ORGANOMETALLIC COMPOUNDS; QUANTUM THEORY;

EID: 78650124363     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp107391x     Document Type: Article

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