Comparative analysis of the performance of commonly available density functionals in the determination of geometrical parameters for copper complexes
Author:
Affiliation:
1. REQUIMTE; Departamento de Química e Bioquímica; Faculdade de Ciências; Universidade do Porto; Rua do Campo Alegre, s/n; 4169-007; Porto; Portugal
Publisher
Wiley
Subject
Computational Mathematics,General Chemistry
Link
http://onlinelibrary.wiley.com/wol1/doi/10.1002/jcc.23349/fullpdf
Reference173 articles.
1. Coordination chemistry of copper proteins: How nature handles a toxic cargo for essential function
2. Mechanisms for copper acquisition, distribution and regulation
3. A Delicate Balance: Homeostatic Control of Copper Uptake and Distribution
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