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Solvation of carbonaceous molecules by para-H2 and ortho-D2clusters. II. Fullerenes

Koc University Digital Collections · Papers
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applied-physicsphysical-chemistry
The coating of various fullerenes by para-hydrogen and ortho-deuterium molecules has been computationally studied as a function of the solvent amount. Rotationally averaged interaction potentials for structureless hydrogen molecules are employed to model their interaction with neutral or charged car
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