The intermolecular potential for solid fullerene is calculated within the Gordon-Kim statistical approach. The isotropic part of the potential agrees semi-quantitatively with experimental data. For the orientationally ordered Pa3BAR phase, two energy minima are predicted at setting angles of 23-degrees and 87-degrees, close to those experimentally found. The electrostatic interaction is shown to be significantly affected by overlap effects at intermolecular separations typical of the solid phases.

ANISOTROPIC-C60-C60 INTERMOLECULAR POTENTIAL

LA ROCCA, Giuseppe Carlo
1994

Abstract

The intermolecular potential for solid fullerene is calculated within the Gordon-Kim statistical approach. The isotropic part of the potential agrees semi-quantitatively with experimental data. For the orientationally ordered Pa3BAR phase, two energy minima are predicted at setting angles of 23-degrees and 87-degrees, close to those experimentally found. The electrostatic interaction is shown to be significantly affected by overlap effects at intermolecular separations typical of the solid phases.
1994
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11384/5207
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