Coating of $$\hbox {C}_{60}$$C60 by para-$$\hbox {H}_2$$H2 and ortho-$$\hbox {D}_2$$D2: revisiting the solvation shell—CMMSE
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DOI: 10.1007/s10910-016-0679-7
Abstract: The solvation of Buckminsterfullerene $$\hbox {C}_{60}$$C60 by para-hydrogen and ortho-deuterium clusters has been modeled using a dedicated potential and path-integral molecular dynamics simulations at low temperature (2 K). The solvation shell obtained from the distribution of… read more here.
Keywords: solvation; solvation shell; hbox; c60 para ... See more keywords