Lecture Notes in Chemistry

Reaction and Molecular Dynamics

Proceedings of the European School on Computational Chemistry, Perugia, Italy, July (1999)

Editors: Lagana, A., Riganelli, A. (Eds.)

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About this book

The amazing growth of computational resources has made possible the modeling of complex chemical processes. To develop these models one needs to proceed from rigorous theoretical methods to approximate ones by exploiting the potential of innovative architectural features of modern concurrent processors. This book reviews some of the most advanced theoretical approaches in the field of molecular reaction dynamics in order to cope as rigorously as possible with the complexity of real systems.

Table of contents (25 chapters)

  • Computational Reaction and Molecular Dynamics: from Simple Systems and Rigorous Methods to Large Systems and Approximate Methods

    Laganà, Antonio (et al.)

    Pages 1-12

  • Fitting Potential Energy Surfaces

    Schatz, George C.

    Pages 15-32

  • Multivalued Potential Energy Surfaces for Dynamics Studies

    Varandas, António J. C.

    Pages 33-56

  • Distributed Approximating Functionals: a Robust, New Approach to Computational Chemistry and Physics

    Hoffman, David K. (et al.)

    Pages 57-73

  • Time Dependent Quantum Approaches to Chemical Reactivity

    Balint-Kurti, Gabriel G.

    Pages 74-87

Buy this book

eBook $119.00
price for USA (gross)
  • ISBN 978-3-642-57051-3
  • Digitally watermarked, DRM-free
  • Included format: PDF
  • ebooks can be used on all reading devices
  • Immediate eBook download after purchase
Softcover $159.00
price for USA
  • ISBN 978-3-540-41202-1
  • Free shipping for individuals worldwide
  • Usually dispatched within 3 to 5 business days.
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Bibliographic Information

Bibliographic Information
Book Title
Reaction and Molecular Dynamics
Book Subtitle
Proceedings of the European School on Computational Chemistry, Perugia, Italy, July (1999)
Editors
  • A. Lagana
  • A. Riganelli
Series Title
Lecture Notes in Chemistry
Series Volume
75
Copyright
2000
Publisher
Springer-Verlag Berlin Heidelberg
Copyright Holder
Springer-Verlag Berlin Heidelberg
eBook ISBN
978-3-642-57051-3
DOI
10.1007/978-3-642-57051-3
Softcover ISBN
978-3-540-41202-1
Series ISSN
0342-4901
Edition Number
1
Number of Pages
XIV, 312
Number of Illustrations and Tables
7 b/w illustrations
Topics