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Elements of Quantum Chemistry

  • Rudolf Zahradník
  • Rudolf Polák

Table of contents

  1. Front Matter
    Pages 1-8
  2. Rudolf Zahradník, Rudolf Polák
    Pages 9-10
  3. Rudolf Zahradník, Rudolf Polák
    Pages 11-12
  4. Rudolf Zahradník, Rudolf Polák
    Pages 13-46
  5. Rudolf Zahradník, Rudolf Polák
    Pages 47-79
  6. Rudolf Zahradník, Rudolf Polák
    Pages 80-102
  7. Rudolf Zahradník, Rudolf Polák
    Pages 103-149
  8. Rudolf Zahradník, Rudolf Polák
    Pages 150-160
  9. Rudolf Zahradník, Rudolf Polák
    Pages 161-169
  10. Rudolf Zahradník, Rudolf Polák
    Pages 170-189
  11. Rudolf Zahradník, Rudolf Polák
    Pages 190-262
  12. Rudolf Zahradník, Rudolf Polák
    Pages 263-294
  13. Rudolf Zahradník, Rudolf Polák
    Pages 295-311
  14. Rudolf Zahradník, Rudolf Polák
    Pages 312-376
  15. Rudolf Zahradník, Rudolf Polák
    Pages 377-382
  16. Rudolf Zahradník, Rudolf Polák
    Pages 383-390
  17. Rudolf Zahradník, Rudolf Polák
    Pages 391-437
  18. Rudolf Zahradník, Rudolf Polák
    Pages 438-449
  19. Back Matter
    Pages 451-462

About this book

Introduction

The post-war generation of chemists learned to handle a blow pipe at the university as thoroughly as modern chemistry students learn to write computer programmes. Even after World War II the rule of three was considered to be sufficient mathematical knowledge for chemists and the short course of "higher mathematics" at technical universities was the test most feared by chemistry students. However, even then some en­ visaged the theoretical derivation of information on the properties of molecules from knowledge of the bonding of the component atoms. During the last quarter of this century, amazing changes have occurred in chemistry, some of them almost incredible. Dirac's famous clairvoyant statement* has been partially realized. Incorporation of quantum mechanics into chemistry encountered numerous difficulties. After all, the reserve of experimental chemists is not surprising. For decades the hydrogen and helium atoms and the hydrogen molecule belonged among the systems most frequently investigated by theoreti­ cians. Later these systems were supplemented by ethylene and benzene. The authors of this book can therefore recall with understanding the words of the late Professor Lukes: "Well, when they succeed in computing a molecule of some alkaloid by those methods of yours ... ". Unfortunately, the calculations on calycanin were not completed before his death. Now there is no need to convince even the members of the older generation of the usefulness of quantum chemistry for chemists. Even the most conservative were convinced after the introduction of the W ood­ ward-Hoffmann rules.

Keywords

bonding chemical bond photochemistry physical chemistry quantum chemistry spectroscopy

Authors and affiliations

  • Rudolf Zahradník
    • 1
  • Rudolf Polák
    • 1
  1. 1.J. Heyrovský Institute of Physical Chemistry and ElectrochemistryCzechoslovak Academy of SciencesPragueCzech

Bibliographic information