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2 is 216.5 K and the corresponding liquid density is 1.18 g/cm. See ref 44.
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2 is 304 K. See ref 44.
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INM theory can be shown to encompass even solute vibrational frequencies outside the basic IBM band when nonlinear coupling is included. See ref 20.
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85034287623
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3CN. The percentage solute contributions to the solvation influence spectrum with Lennard Jones, dispersion, and electrostatic probe potentials are 14.6%, 5.7%, and 4.5%, respectively.
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85034277955
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That is, the solvent molecule for which there is the shortest solutesite/solvent-site distance is deemed to be the closest solvent.
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3CN reveals much the same kinds of mechanistic and time-scale similarities between Lennard-Jones-mediated solvation and vibrational relaxation, but somewhat less similarity in the depths of the minima of the corresponding G(t) functions.
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A similar square-root-like dependence was observed for the number of ""participating" modes when we carried out a finite-size-scaling study for vibrational relaxation in atomic fluids. See ref 26 (footnote 85).
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