Skip to main content
SpringerLink
Log in
Book cover

Quantum Theory of Chemical Reactions

1: Collision Theory, Reaction Path, Static Indices

  • Book
  • © 1980

Overview

Editors:
  1. Raymond Daudel

    1. CNRS, Centre de Mécanique Ondulatoire Appliquée, Paris, France

    View editor publications

    You can also search for this editor in PubMed   Google Scholar

  2. Alberte Pullman

    1. CNRS, Institut de Biologie Physico-Chimique, Paris, France

    View editor publications

    You can also search for this editor in PubMed   Google Scholar

  3. Lionel Salem

    1. CNRS, Laboratoire de Chimie Théorique, Université de Paris Sud, Orsay, France

    View editor publications

    You can also search for this editor in PubMed   Google Scholar

  4. Alain Veillard

    1. CNRS, Université Louis Pasteur, Strasbourg, France

    View editor publications

    You can also search for this editor in PubMed   Google Scholar

Part of the book series: Quantum Theory Chemical Reactions (QTCR, volume 1)

This is a preview of subscription content, log in via an institution to check access.

Access this book

Log in via an institution
eBook USD 39.99
Price excludes VAT (USA)
  • Available as PDF
  • Read on any device
  • Instant download
  • Own it forever
Softcover Book USD 54.99
Price excludes VAT (USA)
  • Compact, lightweight edition
  • Dispatched in 3 to 5 business days
  • Free shipping worldwide - see info

Tax calculation will be finalised at checkout

Other ways to access

Licence this eBook for your library

Institutional subscriptions

Table of contents (10 chapters)

  1. Front Matter

    Pages i-vii
    Download chapter PDF

  2. Some Recent Developments in the Molecular Treatment of Atom-Atom Collisions

    • V. Sidis
    Pages 1-23

  3. Recent Theoretical Developments in the Dynamical Study of Mechanistic Details in Organic Reactions

    • Xavier Chapuisat, Yves Jean
    Pages 25-52

  4. Theoretical Study of Some Simple Organic Reactions

    • Yves Jean
    Pages 53-68

  5. Theoretical Studies of SN2 Reactions

    • A. Dedieu, A. Veillard
    Pages 69-89

  6. Contribution to the Theoretical Study of Reaction Mechanisms

    • G. Leroy, M. Sana, L. A. Burke, M.-T. Nguyen
    Pages 91-144

  7. Structure and Reactivity: An Extended Huckel Approach

    • Angelo Gavezzotti, Massimo Simonetta
    Pages 145-159

  8. Symmetry and the Transition State

    • J. N. Murrell
    Pages 161-176

  9. On the Use of Aromaticity Rules, Frontier Orbitals and Correlations Diagrams. Some Difficulties and Unsolved Problems

    • Nguyen Trong Anh
    Pages 177-189

  10. On the Use of the Electrostatic Molecular Potential in Theoretical Investigations on Chemical Reactivity

    • Jacopo Tomasi
    Pages 191-228

  11. Nucleophilic Affinity of Conjugated Heterocycles in Protonation, Alkylation and Cation Binding

    • A. Pullman
    Pages 229-241

  12. Back Matter

    Pages 243-248
    Download chapter PDF
Back to top

Keywords

About this book

This treatise is devoted to an analysis of the present state of the quantum theory of chemical reactions. It will be divided into three volumes and will contain the contributions to an international seminar organized by the editors. The first one, is concerned with the fundamental problems which occur when studying a gas phase reaction or a reaction for which the solvent effect is not taken into account. The two first papers show how the collision theory can be used to predict the behaviour of interacting small molecules. For large molecules the complete calculations are not possible. We can only estimate the reaction path by calculating important areas of the potential surfaces. Four papers are concerned with this important pro­ cess. Furthermore, in one of these, the electronic reorganization which occurs along the reaction path is carefully analyzed. ~~o papers are devoted to the discussion of general rules as aromaticity rules, symmetry rules. The last two papers are concerned with the electrostatic molecular poten­ tial method which is the modern way of using static indices to establish relations between structure and chemical reactivity. Volume II will be devoted to a detailed analysis of the role of the solvent and volume III will present important applications as reaction mechanisms, photochemistry, catalysis, biochemical reactions and drug design. SOME RECENT DEVELOPMENTS IN THE MOLECULAR TREATMENT OF ATOM-ATOM COLLISIONS.

Editors and Affiliations

  • CNRS, Centre de Mécanique Ondulatoire Appliquée, Paris, France

    Raymond Daudel

  • CNRS, Institut de Biologie Physico-Chimique, Paris, France

    Alberte Pullman

  • CNRS, Laboratoire de Chimie Théorique, Université de Paris Sud, Orsay, France

    Lionel Salem

  • CNRS, Université Louis Pasteur, Strasbourg, France

    Alain Veillard

Bibliographic Information

  • Book Title: Quantum Theory of Chemical Reactions

  • Book Subtitle: 1: Collision Theory, Reaction Path, Static Indices

  • Editors: Raymond Daudel, Alberte Pullman, Lionel Salem, Alain Veillard

  • Series Title: Quantum Theory Chemical Reactions

  • DOI: https://doi.org/10.1007/978-94-009-9516-1

  • Publisher: Springer Dordrecht

  • eBook Packages: Springer Book Archive

  • Copyright Information: D. Reidel Publishing Company, Dordrecht, Holland 1980

  • Hardcover ISBN: 978-90-277-1047-5Due: 30 November 1979

  • Softcover ISBN: 978-94-009-9518-5Published: 05 November 2011

  • eBook ISBN: 978-94-009-9516-1Published: 06 December 2012

  • Edition Number: 1

  • Number of Pages: 256

  • Topics: Physical Chemistry

Publish with us

Policies and ethics

Back to top

Search

Navigation