Molecular dynamics simulation studies of rare gases complexes with Buckminsterfullerene are reported in the low-temperature regime. A family of potential parameters is used to describe the C60-rare gas atom interactions and a comparison with different potential models in the case of Xe–C60 interaction is discussed. The effect on the structure and the internal frequencies of C60 is discussed.
Molecular dynamics simulation of rare gas fullerene adducts / G.Cardini;P.Procacci;P.Salvi;V.Schettino. - In: LOW TEMPERATURE PHYSICS. - ISSN 1063-777X. - STAMPA. - 19:(1993), pp. 562-566.
Molecular dynamics simulation of rare gas fullerene adducts
CARDINI, GIANNI;PROCACCI, PIERO;SALVI, PIER REMIGIO;SCHETTINO, VINCENZO
1993
Abstract
Molecular dynamics simulation studies of rare gases complexes with Buckminsterfullerene are reported in the low-temperature regime. A family of potential parameters is used to describe the C60-rare gas atom interactions and a comparison with different potential models in the case of Xe–C60 interaction is discussed. The effect on the structure and the internal frequencies of C60 is discussed.
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