Density functional theory investigation of Cu(I)- and Cu(II)-curcumin complexes

Journal of Computational Chemistry

Volumn 32, Issue 3, 2011, Pages 429-438

  Addicoat, Matthew A ^a   Metha, Gregory F ^b   Kee, Tak W ^b  

^a AUSTRALIAN NATIONAL UNIVERSITY   (Australia)

^b UNIVERSITY OF ADELAIDE   (Australia)

Author keywords

conformations; copper complexes; Cu(I); Cu(II); curcumin

Indexed keywords

BASIS SETS; COPPER ATOMS; COPPER COMPLEXES; CU COMPLEXES; CU(I); CU(II); CURCUMIN; ELECTRON TRANSFER; ENERGY CONFORMERS; LOWEST-ENERGY GEOMETRIES; METHOXY; NATURAL BOND ORBITAL; PROGRESSIVE DISPLACEMENT; REACTION PATHS; SINGLY OCCUPIED MOLECULAR ORBITALS; SPIN DENSITIES; STERIC REPULSIONS; SUBSTITUTED AROMATIC; WATER MOLECULE;

COMPLEXATION; CONFORMATIONS; COPPER; DENSITY FUNCTIONAL THEORY; MOLECULAR ORBITALS;

COPPER COMPOUNDS;

COORDINATION COMPOUND; COPPER; CURCUMIN;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; ISOMERISM; QUANTUM THEORY; THERMODYNAMICS;

COORDINATION COMPLEXES; COPPER; CURCUMIN; ISOMERISM; MODELS, MOLECULAR; QUANTUM THEORY; THERMODYNAMICS;

EID: 78650444480     PISSN: 01928651     EISSN: 1096987X     Source Type: Journal    
DOI: 10.1002/jcc.21631     Document Type: Article

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