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Publikováno v:
Russian Chemical Bulletin. 60:400-406
The Gibbs free energies of solvation (ΔG s) and the electronic structures of endohedral metallofullerenes M+@C60 (M+= Li+, K+) were calculated within the framework of the density functional theory and the polarizable continuum model. In water enviro
Publikováno v:
Russian Chemical Bulletin; Mar2011, Vol. 60 Issue 3, p400-406, 7p