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Journal of Molecular Structure: THEOCHEM

Volumn 683, Issue 1-3, 2004, Pages 183-193

Theoretical model of copper Cu(I)/Cu(II) hydration. DFT and ab initio quantum chemical study

(3) Burda, Jaroslav V a Pavelka, Matěj a Šimánek, Milan a

a CHARLES UNIVERSITY (Czech Republic)

Author keywords

Hydration; Solvent molecules; Stabilization energies; Transition metal complexes

Indexed keywords

CATION; COPPER COMPLEX; COPPER ION; METAL COMPLEX; SOLVENT; TRANSITION ELEMENT;

AB INITIO CALCULATION; ARTICLE; CHEMICAL BOND; CHEMICAL STRUCTURE; COMPLEX FORMATION; DECOMPOSITION; DENSITY FUNCTIONAL THEORY; ENERGY; HYDRATION; LIGAND BINDING; MOLECULAR STABILITY; QUANTUM CHEMISTRY; SOLVENT EFFECT; STRUCTURE ANALYSIS; THEORETICAL MODEL;

EID: 4544317817 PISSN: 01661280 EISSN: None Source Type: Journal
DOI: 10.1016/j.theochem.2004.06.013 Document Type: Article

Times cited : (69)

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