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...

Ful tanımlama

Detaylı Bibliyografya
Yazar: Thomas, Martin (Yazar)
Müşterek Yazar: SpringerLink (Online service)
Materyal Türü: e-Kitap
Dil:İngilizce
Baskı/Yayın Bilgisi: Cham : Springer International Publishing : Imprint: Springer, 2017.
Edisyon:1st ed. 2017.
Seri Bilgileri:Springer Theses, Recognizing Outstanding Ph.D. Research,
Konular:
Chemistry, Physical and theoretical.
Theoretical Chemistry.
Online Erişim:Full-text access
OPAC'ta görüntüle
İçindekiler:
  • Introduction
  • Theoretical Background
  • Methodological Developments
  • Applications
  • Conclusion and Outlook
  • Computational Details
  • Mathematical Derivations
  • The Method of Imaginary Time Propagation.

Benzer Materyaller