Hydrogen Bonding

Hydrogen Bonding : A Theoretical Perspective

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Because of the importance of the hydrogen bond, there have been scores of insights gained about its fundamental nature by quantum chemical computations over the years. Such methods can probe subtle characteristics of the electronic structure and examine regions of the potential energy surface that are simply not accessible by experimental means. The maturation of the techniques, codes, and computer hardware have permitted calculations of unprecedented reliability and rivaling the accuracy of experimental data. This book strives first toward an appreciation of the power of quantum chemistry to analyse the deepest roots of the hydrogen bond phenomenon. It offers a systematic and understandable account of decades of such calculations, focusing on the most important findings. This book provides readers with the tools to understand the original literature, and to perhaps carry out some calculations of their very own on systems of interest.
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Product details

  • Hardback | 394 pages
  • 166.9 x 231.9 x 28.2mm | 716.68g
  • New York, United States
  • English
  • numerous line figures, tables
  • 019509011X
  • 9780195090116

Table of contents

1. Quantum Chemical Framework ; 2. Geometries and Energetics ; 3. Vibrational Spectra ; 4. Extended Regions of Potential Energy Surface ; 5. Cooperative Phenomena ; 6. Questionable Cases
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Review quote

...it provides a balanced overview of the quantum chemical framework...it is a rich compilation of information with lots of interesting results...this book should become a popular reference. * Structural Chemistry *
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