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• W2130709859 abstract "The interaction between a C 60 molecule with methanol, the main composition of the currently employed pressure transmitting fluid was studied. The simulations include C 60 under hydrostatic or uniaxial pressure interacting with methanol. The relaxed structure as well as the binding energies and the electronic density of states were obtained. The analysis of binding energy indicates that the methanol molecule is attracted to C 60 under hydrostatic pressure, while repulsed if the pressure is uniaxial. The results establish that the mechanisms of interaction between this nanometer scale system and the medium may change during the compression. Density of states results indicate severe changes in the Raman spectrum of the system under compression." @default.
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• W2130709859 date "2007-01-01" @default.
• W2130709859 modified "2023-09-25" @default.
• W2130709859 title "Interaction of a methanol molecule with C60 under pressure" @default.
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• W2130709859 doi "https://doi.org/10.1002/pssb.200672586" @default.
• W2130709859 hasPublicationYear "2007" @default.
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