Theoretical Modeling of Vibrational Spectra in the Liquid Phase

by Martin Thomas and Martin Thomas

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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...

Format:Paperback

Language:English

ISBN:3319842021

ISBN13:9783319842028

Release Date:July 2018

Publisher:Springer

Length:184 Pages

Weight:0.69 lbs.

Dimensions:0.5" x 6.1" x 9.2"

Related Subjects

Science Science & Math Science & Scientists Science & Technology

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Theoretical Modeling of Vibrational Spectra in the Liquid Phase

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