https://publications-cnrc.canada.ca/fra/voir/objet/?id=27871c2c-cfc4-4b72-bea9-cd27d4e0c2dc
Rechercher Moreira da Costa, Leonardo; Rechercher Stoyanov, Stanislav R; Rechercher Walkimar de M. Carneiro, José
Journal of Molecular Modeling, 16 mai 2012, Volume : 18, Numéro : 9
The affinities of Mg2+ for various substituted carbonyl ligands were determined at the DFT (B3LYP/6-31+G(d)) and semi-empirical (PM6) levels of theory. Two...
Article de périodique (revue)