Density functional theory study of the oxoperoxo vanadium(V) complexes of glycolic acid. Structural correlations with NMR chemical shifts
Abstract
The DFT B3LYP/
* Corresponding authors
a
Departamento de Química, Faculdade de Ciências e Tecnologia, Universidade de Coimbra, Coimbra, Portugal
E-mail:
liciniaj@qui.uc.pt
b Institut für Anorganische Chemie, Universität Würzburg, Am Hubland, Würzburg, Germany
c Departamento de Física e Centro de Física Computacional, Faculdade de Ciências e Tecnologia, Universidade de Coimbra, Coimbra, Portugal
d Centro de Neurociências e Biologia Celular, Faculdade de Ciências e Tecnologia da Universidade de Coimbra, Coimbra, Portugal
The DFT B3LYP/
L. L. G. Justino, M. L. Ramos, M. Kaupp, H. D. Burrows, C. Fiolhais and V. M. S. Gil, Dalton Trans., 2009, 9735 DOI: 10.1039/B910033D
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