Nato Science Series C:

Recent Experimental and Computational Advances in Molecular Spectroscopy

Editors: Fausto, Rui (Ed.)

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About this book

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.

Table of contents (23 chapters)

Table of contents (23 chapters)
  • Protonation of Simple Unsaturated Organic Compounds in Their Electronic Ground and Low Lying Excited States

    Pages 1-9

    Csizmadia, Imre G.

  • Application of the CI-Singles Method in Predicting the Energy, Properties, and Reactivity of Molecules in Their Excited States

    Pages 11-26

    Foresman, James B. (et al.)

  • Molecular Structure from Rotational and Vibrational Transitions in Electronic Spectra

    Pages 27-61

    Hollas, J. M.

  • From Qualitative to Quantitative Analyses of Circular Dichroism Spectra Using the Convex Constraint Algorithm

    Pages 63-77

    Perczel, András

  • Potential Energy Surfaces and Vibrational Anharmonicity

    Pages 79-98

    Mills, I. M.

Buy this book

eBook $189.00
price for USA in USD
  • ISBN 978-94-011-1974-0
  • Digitally watermarked, DRM-free
  • Included format: PDF
  • ebooks can be used on all reading devices
  • Immediate eBook download after purchase
Hardcover $379.99
price for USA in USD
  • ISBN 978-0-7923-2388-4
  • Free shipping for individuals worldwide
  • Institutional customers should get in touch with their account manager
  • Covid-19 shipping restrictions
  • Usually ready to be dispatched within 3 to 5 business days, if in stock
Softcover $249.99
price for USA in USD
  • ISBN 978-94-010-4871-2
  • Free shipping for individuals worldwide
  • Institutional customers should get in touch with their account manager
  • Covid-19 shipping restrictions
  • Usually ready to be dispatched within 3 to 5 business days, if in stock
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Bibliographic Information

Bibliographic Information
Book Title
Recent Experimental and Computational Advances in Molecular Spectroscopy
Editors
  • Rui Fausto
Series Title
Nato Science Series C:
Series Volume
406
Copyright
1993
Publisher
Springer Netherlands
Copyright Holder
Springer Science+Business Media Dordrecht
eBook ISBN
978-94-011-1974-0
DOI
10.1007/978-94-011-1974-0
Hardcover ISBN
978-0-7923-2388-4
Softcover ISBN
978-94-010-4871-2
Series ISSN
1389-2185
Edition Number
1
Number of Pages
XIX, 454
Topics