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pro vyhledávání: '"Florent Tournus"'
Publikováno v:
The Journal of Chemical Physics. 117:10627-10634
We report on the energetics of C60–Si clusters. By means of ab initio calculations based on the local density approximation to the density functional theory, we have investigated stable and metastable structures of C60–Si, C60–Si–C60, and (C6
Publikováno v:
The Journal of Chemical Physics. 122:237101
Publikováno v:
The Journal of Chemical Physics. 122:094315
The orientational dependence of the interaction between two C-60 molecules is investigated using ab initio calculations. The binding energy, computed within density functional theory in the local density approximation, is substantially smaller than t