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51
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33746085734
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note
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In actual simulations, the zero-point energy associated with quantum character of solute vibrations is ignored.
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52
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33746068749
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note
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The solute kinetic energy arising from its translational and rotational motions is small and thus is ignored in the decomposition of the system energy.
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53
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33746058006
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note
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The bond length of the solute at t=0 corresponds to that in vacuum because of the rigid geometry employed in our equilibrium simulations prior to vibrational excitations.
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54
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33746045403
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note
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- is extended with respect to its vacuum geometry.
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55
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33746082957
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The solute vibrational period is ~70 fs for v = 16 and -100 fs for v =61
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The solute vibrational period is ~70 fs for v = 16 and -100 fs for v =61.
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