Reaction and Molecular Dynamics

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

  • Antonio Laganà
  • Antonio Riganelli
Part of the Lecture Notes in Chemistry book series (LNC, volume 75)

Table of contents

  1. Front Matter
    Pages I-XIV
  2. Lectures

  3. Tutorials

    1. Front Matter
      Pages 191-191
    2. Guillermo Ochoa de Aspuru, María Luz Hernández
      Pages 193-208
    3. Marlies Hankel, Valentina Piermarini
      Pages 209-221
    4. Alessandro Bolloni, Fermin Huarte-Larrañaga, Xavier Gimenez
      Pages 222-241

About these proceedings

Introduction

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.

Keywords

Atom Chemische Reaktionen Computational chemistry Computerchemie Moleküldynamik Potential chemical reactions mechanics molecular dynamics quantum chemistry

Editors and affiliations

  • Antonio Laganà
    • 1
  • Antonio Riganelli
    • 2
  1. 1.Dipartimento di ChimicaUniversità di PerugiaPerugiaItaly
  2. 2.Departamento de QuímicaUniversidade de CoimbraCoimbraPortugal

Bibliographic information

  • DOI https://doi.org/10.1007/978-3-642-57051-3
  • Copyright Information Springer-Verlag Berlin Heidelberg 2000
  • Publisher Name Springer, Berlin, Heidelberg
  • eBook Packages Springer Book Archive
  • Print ISBN 978-3-540-41202-1
  • Online ISBN 978-3-642-57051-3
  • Series Print ISSN 0342-4901
  • Series Online ISSN 2192-6603