Quantum Chemistry

Fundamentals to Applications

  • Tamás Veszprémi
  • Miklós Fehér

Table of contents

  1. Front Matter
    Pages i-xix
  2. The Fundamentals

    1. Front Matter
      Pages 1-1
    2. Tamás Veszprémi, Miklós Fehér
      Pages 3-27
    3. Tamás Veszprémi, Miklós Fehér
      Pages 29-41
    4. Tamás Veszprémi, Miklós Fehér
      Pages 43-64
    5. Tamás Veszprémi, Miklós Fehér
      Pages 65-81
    6. Tamás Veszprémi, Miklós Fehér
      Pages 83-92
    7. Tamás Veszprémi, Miklós Fehér
      Pages 93-145
    8. Tamás Veszprémi, Miklós Fehér
      Pages 147-171
    9. Tamás Veszprémi, Miklós Fehér
      Pages 173-199
    10. Tamás Veszprémi, Miklós Fehér
      Pages 201-204
  3. Applications

    1. Front Matter
      Pages 205-205
    2. Tamás Veszprémi, Miklós Fehér
      Pages 207-217
    3. Tamás Veszprémi, Miklós Fehér
      Pages 219-234
    4. Tamás Veszprémi, Miklós Fehér
      Pages 235-248
    5. Tamás Veszprémi, Miklós Fehér
      Pages 249-257
    6. Tamás Veszprémi, Miklós Fehér
      Pages 259-287
    7. Tamás Veszprémi, Miklós Fehér
      Pages 289-305
    8. Tamás Veszprémi, Miklós Fehér
      Pages 307-317
    9. Tamás Veszprémi, Miklós Fehér
      Pages 319-337

About this book

Introduction

`Quantum Chemistry [the branch of Computational Chemistry that applies the laws of Quantum Mechanics to chemical systems] is one of the most dynamic fields of contemporary chemistry, providing a solid foundation for all of chemistry, and serving as the basis for practical, computational methodologies with applications in virtually all branches of chemistry ... The increased sophistication, accuracy and scope of the theory of chemistry are due to a large extent to the spectacular development of quantum chemistry, and in this book the authors have made a remarkable effort to provide a modern account of the field.'
From the Foreword by Paul Mezey, University of Saskatchewan.
Quantum Chemistry: Fundamentals to Applications develops quantum chemistry all the way from the fundamentals, found in Part I, through the applications that make up Part II.
The applications include:
  • molecular structure;
  • spectroscopy;
  • thermodynamics;
  • chemical reactions;
  • solvent effects; and
  • excited state chemistry.
The importance of this field is underscored by the fact that the 1998 Nobel Prize in Chemistry was awarded for the development of Quantum Chemistry.

Keywords

chemical reaction computational chemistry quantum chemistry quantum mechanics spectroscopy structure thermodynamics

Authors and affiliations

  • Tamás Veszprémi
    • 1
  • Miklós Fehér
    • 2
  1. 1.Department of Inorganic ChemistryTechnical University of BudapestBudapestHungary
  2. 2.Research Park CentreNanodesign, Inc.GuelphCanada

Bibliographic information

  • DOI https://doi.org/10.1007/978-1-4615-4189-9
  • Copyright Information Kluwer Academic/Plenum Publishing, New York 1999
  • Publisher Name Springer, Boston, MA
  • eBook Packages Springer Book Archive
  • Print ISBN 978-1-4613-6879-3
  • Online ISBN 978-1-4615-4189-9
  • About this book