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Dynamics theory for molecular liquids based on an interaction site model

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Abstract

Dynamics theories for molecular liquids based on an interaction site model have been developed over the past few decades and proved to be powerful tools to investigate various dynamical phenomena. In many of these theories, equations of time correlation functions are formulated by using the Zwanzig–Mori projection operator. Since algebriac equations are directly treated in these statistical mechanical approaches, the obtained dynamical properties are essentially free from statistical error. This perspective presents the theoretical framework of such theories and their applications, including visualization of diffusion processes, collective excitations, solvation dynamics, transport properties, and diffusion controlled reactions.

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Publication details

The article was received on 09 Aug 2017, accepted on 29 Sep 2017 and first published on 11 Oct 2017


Article type: Perspective
DOI: 10.1039/C7CP05423H
Citation: Phys. Chem. Chem. Phys., 2017, Advance Article
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    Dynamics theory for molecular liquids based on an interaction site model

    K. Kasahara and H. Sato, Phys. Chem. Chem. Phys., 2017, Advance Article , DOI: 10.1039/C7CP05423H

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