Solute-structure dependence of solvation dynamics studied by reference interaction-site model theory

A combination of the reference interaction-site model theory and site–site Smoluchowski–Vlasov equation is applied to estimate the dynamic response function of the average-energy relaxation of the solute–solvent system, SS(t). We calculate SS(t) for 13 model solutes with different structure, from a...

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Veröffentlicht in:	The Journal of chemical physics 2003-02, Vol.118 (5), p.2279-2285
Hauptverfasser:	Nishiyama, Katsura, Hirata, Fumio, Okada, Tadashi
Format:	Artikel
Sprache:	eng
Online-Zugang:	Volltext
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