Atomic Hypothesis and the Concept of Molecular Structure

  • Zvonimir B. Maksić

Part of the Theoretical Models of Chemical Bonding Part 1 book series (TLB)

Table of contents

About this book


"Imagination and shrewd guesswork are powerful instruments for acquiring scientific knowledge . . . " 1. H. van't Hoff The last decades have witnessed a rapid growth of quantum chemistry and a tremendous increase in the number of very accurate ab initio calculations of the electronic structure of molecules yielding results of admirable accuracy. This dramatic progress has opened a new stage in the quantum mechanical description of matter at the molecular level. In the first place, highly accurate results provide severe tests of the quantum mecha­ nics. Secondly, modern quantitative computational ab initio methods can be synergetically combined with various experimen­ tal techniques thus enabling precise numerical characterization of molecular properties better than ever anticipated earlier. However, the role of theory is not exhausted in disclosing the fundamental laws of Nature and production of ever increasing sets of data of high accuracy. It has to provide additionally a means of systematization, recognition of regularities, and ratio­ nalization of the myriads of established facts avoiding in this way complete chaos. Additional problems are represented by molecular wavefunctions provided by the modern high-level computational quantum chemistry methods. They involve, in principle, all the information on molecular system, but they are so immensely complex that can not be immediately understood in simple and physically meaningful terms. Both of these aspects, categorization and interpretation, call for conceptual models which should be preferably pictorial, transparent, intuitively appealing and well-founded, being sometimes useful for semi­ quantitative purposes.


Molekülphysik Theoretische Chemie bonding chemistry chirality iron structure theoretical chemistry

Editors and affiliations

  • Zvonimir B. Maksić
    • 1
    • 2
  1. 1.Theoretical Chemistry GroupThe “Rudjer Bošković” InstituteZagrebCroatia/Yugoslavia
  2. 2.Faculty of Natural Sciences and MathematicsUniversity of ZagrebZagrebCroatia/Yugoslavia

Bibliographic information

  • DOI
  • Copyright Information Springer-Verlag Berlin Heidelberg 1990
  • Publisher Name Springer, Berlin, Heidelberg
  • eBook Packages Springer Book Archive
  • Print ISBN 978-3-642-64775-8
  • Online ISBN 978-3-642-61279-4
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