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Recent Experimental and Computational Advances in Molecular Spectroscopy

  • R. Fausto

Part of the NATO ASI Series book series (ASIC, volume 406)

Table of contents

  1. Front Matter
    Pages i-xvi
  2. J. J. C. Teixeira-Dias
    Pages 125-129
  3. T. Varnali, V. Aviyente, B. Terryn, M. F. Ruiz-Lopez
    Pages 135-139
  4. Willis B. Person, Krystyna Szczepaniak, Marian Szczesniak, Janet E. Del Bene
    Pages 141-169
  5. A. M. Bradshaw
    Pages 207-228
  6. John Tomkinson
    Pages 229-249
  7. R. F. W. Bader
    Pages 313-349
  8. K. J. Rasmussen, S. B. Engelsen, J. Fabricius, B. Rasmussen
    Pages 381-419
  9. Soren Engelsen, Jasper Fabricius, Mike Peterson, Paulo J. A. Ribeiro-Claro, Benjamin J. Whitaker
    Pages 421-429
  10. Back Matter
    Pages 431-454

About this book

Introduction

Both molecular spectroscopy and computational chemistry have witnessed rapid significant progresses in recent years. On the one hand, it is nowadays possible to compute, to quite a reasonable degree of accuracy, almost all fundamental spectroscopic properties for small molecular systems. The theoretical approach is now properly considered to be of fundamental importance in attaining a high degree of understanding of spectroscopic information. Moreover, it may be also a great help in designing and planning experiments. On the other hand, new and very powerful experimental techniques have been developed.
This book combines an advanced teaching standpoint with an emphasis on the interplay between theoretical and experimental molecular spectroscopy. It covers a wide range of topics (such as molecular dynamics and reactivity, conformational analysis, hydrogen bonding and solvent effects, spectroscopy of excited states, complex spectra interpretation and simulation, software development and biochemical applications of molecular spectroscopy) and considers a large variety of molecular spectroscopic techniques, either from an experimental or from a theoretical perspective.
(short text)
This book combines an advanced teaching standpoint with an emphasis on the interplay between theoretical and experimental molecular spectroscopy. It covers a wide range of topics (such as molecular dynamics and reactivity, conformational analysis, hydrogen bonding and solvent effects, spectroscopy of excited states, complex spectra interpretation and simulation, software development and biochemical applications of molecular spectroscopy) and considers a large variety of molecular spectroscopic techniques either from an experimental or from a theoretical perspective.

Keywords

computational chemistry molecule nuclear magnetic resonance (NMR) spectra spectroscopy

Editors and affiliations

  • R. Fausto
    • 1
  1. 1.Department of ChemistryUniversity of CoimbraCoimbraPortugal

Bibliographic information

  • DOI https://doi.org/10.1007/978-94-011-1974-0
  • Copyright Information Kluwer Academic Publishers 1993
  • Publisher Name Springer, Dordrecht
  • eBook Packages Springer Book Archive
  • Print ISBN 978-94-010-4871-2
  • Online ISBN 978-94-011-1974-0
  • Series Print ISSN 1389-2185
  • Buy this book on publisher's site
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