Computational Strategies for Spectroscopy: From Small Molecules to Nano Systems

Computational Strategies for Spectroscopy: From Small Molecules to Nano Systems

Editor(s): Vincenzo Barone

Published Online: 28 OCT 2011 02:46PM EST

Print ISBN: 9780470470176

Online ISBN: 9781118008720

DOI: 10.1002/9781118008720

About this Book

Computational spectroscopy is a rapidly evolving field that is becoming a versatile and widespread tool for the assignment of experimental spectra and their interpretation as related to chemical physical effects. This book is devoted to the most significant methodological contributions in the field, and to the computation of IR, UV-VIS, NMR and EPR spectral parameters with reference to the underlying vibronic and environmental effects. Each section starts with a chapter written by an experimental spectroscopist dealing with present challenges in the different fields; comprehensive coverage of conventional and advanced spectroscopic techniques is provided by means of dedicated chapters written by experts. Computational chemists, analytical chemists and spectroscopists, physicists, materials scientists, and graduate students will benefit from this thorough resource.

Table of contents

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  1. Part I: Electronic and Spin States

  2. Part IIA: Effects Related to Nuclear Motions: Time-Independent Models

  3. Part IIB: Effects Related to Nuclear Motions: Time-Dependent Models

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