[PDF.94dz] Theoretical Modeling of Vibrational Spectra in the Liquid Phase (Springer Theses)

Theoretical Modeling of Vibrational Spectra in the Liquid Phase (Springer Theses)

[PDF.dh50] Theoretical Modeling of Vibrational Spectra in the Liquid Phase (Springer Theses)

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 | #8591105 in Books |  2016-12-24 | Original language:English | PDF # 1 |  9.21 x.56 x6.14l, | File type: PDF | 184 pages

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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 are governed by strong...

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