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Theoretical Modeling of Vibrational Spectra in the Liquid Phase

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. T...

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Bibliographic Details
Main Author:	Thomas, Martin (Author)
Corporate Author:	SpringerLink (Online service)
Format:	e-Book
Language:	English
Published:	Cham : Springer International Publishing : 2017. Imprint: Springer,
Edition:	1st ed. 2017.
Series:	Springer Theses, Recognizing Outstanding Ph.D. Research,
Subjects:	Chemistry, Physical and theoretical. Theoretical Chemistry.
Online Access:	Full-text access

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