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Nato Science Series II:

Novel Approaches to the Structure and Dynamics of Liquids: Experiments, Theories and Simulations

Authors: Samios, Jannis, Durov, Vladimir A.

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  • ISBN 978-1-4020-2384-2
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About this book

The unique behavior of the "liquid state", together with the richness of phenomena that are observed, render liquids particularly interesting for the scientific community. Note that the most important reactions in chemical and biological systems take place in solutions and liquid-like environments. Additionally, liquids are utilized for numerous industrial applications. It is for these reasons that the understanding of their properties at the molecular level is of foremost interest in many fields of science and engineering. What can be said with certainty is that both the experimental and theoretical studies of the liquid state have a long and rich history, so that one might suppose this to be essentially a solved problem. It should be emphasized, however, that although, for more than a century, the overall scientific effort has led to a considerable progress, our understanding of the properties of the liquid systems is still incomplete and there is still more to be explored. Basic reason for this is the "many body" character of the particle interactions in liquids and the lack of long-range order, which introduce in liquid state theory and existing simulation techniques a number of conceptual and technical problems that require specific approaches. Also, many of the elementary processes that take place in liquids, including molecular translational, rotational and vibrational motions (Trans. -Rot. -Vib. coupling), structural relaxation, energy dissipation and especially chemical changes in reactive systems occur at different and/or extremely short timescales.

Table of contents (26 chapters)

Table of contents (26 chapters)
  • Intermolecular Interactions and Cooperative Effects from Electronic Structure Calculations: An Effective Means for Developing Interaction Potentials for Condensed Phase Simulations

    Pages 1-15

    Xantheas, Sotiris S.

  • Models in Theory of Molecular Liquid Mixtures: Structure, Dynamics, and Physicochemical Properties

    Pages 17-40

    Durov, V. A.

  • Classical Versus Quantum Mechanical Simulations: The Accuracy of Computer Experiments in Solution Chemistry

    Pages 41-52

    Rode, B. M. (et al.)

  • Basic Concepts and Trends in ab Initio Molecular Dynamics

    Pages 53-91

    Tuckerman, Mark E.

  • Concepts of Ionic Solvation

    Pages 93-110

    Krienke, Hartmut

Buy this book

eBook $109.00
price for USA in USD
  • ISBN 978-1-4020-2384-2
  • Digitally watermarked, DRM-free
  • Included format: PDF
  • ebooks can be used on all reading devices
  • Immediate eBook download after purchase
Hardcover $149.99
price for USA in USD
Softcover $149.00
price for USA in USD
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Bibliographic Information

Bibliographic Information
Book Title
Novel Approaches to the Structure and Dynamics of Liquids: Experiments, Theories and Simulations
Authors
Series Title
Nato Science Series II:
Series Volume
133
Copyright
2004
Publisher
Springer Netherlands
Copyright Holder
Springer Science+Business Media Dordrecht
eBook ISBN
978-1-4020-2384-2
DOI
10.1007/978-1-4020-2384-2
Hardcover ISBN
978-1-4020-1846-6
Softcover ISBN
978-1-4020-1847-3
Series ISSN
1568-2609
Edition Number
1
Number of Pages
XII, 548
Topics