Theoretical Modeling of Vibrational Spectra in the Liquid Phase

Author:   Martin Thomas
Publisher:   Springer International Publishing AG
Edition:   1st ed. 2017
ISBN:  

9783319496276


Pages:   184
Publication Date:   02 January 2017
Format:   Hardback
Availability:   Manufactured on demand   Availability explained
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Theoretical Modeling of Vibrational Spectra in the Liquid Phase


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Author:   Martin Thomas
Publisher:   Springer International Publishing AG
Imprint:   Springer International Publishing AG
Edition:   1st ed. 2017
Dimensions:   Width: 15.50cm , Height: 1.40cm , Length: 23.50cm
Weight:   4.557kg
ISBN:  

9783319496276


ISBN 10:   3319496271
Pages:   184
Publication Date:   02 January 2017
Audience:   Professional and scholarly ,  Professional & Vocational
Format:   Hardback
Publisher's Status:   Active
Availability:   Manufactured on demand   Availability explained
We will order this item for you from a manufactured on demand supplier.

Table of Contents

Introduction.- Theoretical Background.- Methodological Developments.- Applications.- Conclusion and Outlook.- Computational Details.- Mathematical Derivations.- The Method of Imaginary Time Propagation.

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Author Information

Martin Thomas studied chemistry at the University of Jena, where he graduated with a diploma thesis about the theoretical calculation of surface-enhanced Raman scattering in summer 2012. For his PhD, he joined the research group of Prof. Dr. Barbara Kirchner at the University of Leipzig. In the beginning of 2013, he followed the group to the Mulliken Center for Theoretical Chemistry at the University of Bonn, where he defended his PhD thesis in spring 2016. His research was focused on the simulation of vibrational spectra by ab initio molecular dynamics techniques, providing detailed insight into the infrared, Raman, and vibrational circular dichroism spectra of liquid systems.

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