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Paperback Theoretical Modeling of Vibrational Spectra in the Liquid Phase Book
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ISBN: 3319842021

ISBN13: 9783319842028

Theoretical Modeling of Vibrational Spectra in the Liquid Phase

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Format: Paperback

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Book Overview

This thesis provides a comprehensive description of methods used to compute the vibrational spectra of liquid systems by molecular dynamics simulations. The author systematically introduces theoretical basics and discusses the implications of approximating the atomic nuclei as classical particles. The strengths of the methodology are demonstrated through several different examples. Of particular interest are ionic liquids, since their properties...

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