А. А. Ванин, E. M. Piotrovskaya, L. B. Piotrovsky
Abstract
Simulation of aqueous and carbon disulphide solutions of fullerene C60 was performed by molecular dynamics (MD). We proposed the correlation of fullerene solubility versus the mean force potential, ΔFC60–C60(r), obtained from the numeric experiment.
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Simulation of aqueous and carbon disulphide solutions of fullerene C60 was performed by molecular dynamics (MD). We proposed the correlation of fullerene solubility versus the mean force potential, ΔFC60–C60(r), obtained from the numeric experiment.
Key concepts: Fullerene, Molecular dynamics, Dynamics (music), Statistical physics, Chemical physics, Nanotechnology, Materials science, Computational chemistry