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Theoretical Models of Chemical Bonding

Part 3: Molecular Spectroscopy, Electronic Structure and Intramolecular Interactions

  • Book
  • © 1991

Overview

Editors:
  1. Zvonimir B. Maksić

    1. Theoretical Chemistry Group, The “Rudjer Bošković” Institute, Zagreb, Croatia/Yugoslavia
      Faculty of Natural Sciences and Mathematics, University of Zagreb, Zagreb, Croatia/Yugoslavia

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Table of contents (15 chapters)

  1. Front Matter

    Pages I-X
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  2. Nuclear Vibrations and Force Constants

    • James E. Boggs
    Pages 1-24

  3. Some Aspects of the Quantumchemical Interpretation of Integrated Intensities of Infrared Absorption Bands

    • H. P. Figeys, P. Geerlings
    Pages 25-62

  4. The Orbital Concept as a Foundation for Photoelectron Spectroscopy

    • S. P. McGlynn, K. Wittel, L. Klasinc
    Pages 63-97

  5. The Equivalent Bond Orbital Model and the Interpretation of PE Spectra

    • Evi Honegger, Edgar Heilbronner
    Pages 99-151

  6. Through-space and Through-bond Interactions as Mirrored in Photoelectron Spectra

    • Mirjana Eckert-Maksić
    Pages 153-198

  7. Penning Ionization — The Outer Shape of Molecules

    • Koichi Ohno, Yoshiya Harada
    Pages 199-233

  8. The Meaning and Distribution of Atomic Charges in Molecules

    • Karl Jug, Zvonimir B. Maksić
    Pages 235-288

  9. Electron Spectroscopy for Chemical Analysis (ESCA) — Basic Features and their Model Description

    • Zvonimir B. Maksić
    Pages 289-338

  10. Experimental Momentum-Space Chemistry by (e, 2e) Spectroscopy

    • K. T. Leung
    Pages 339-386

  11. Theoretical Parameters of NMR Spectroscopy

    • Jozef Kowalewski, Aatto Laaksonen
    Pages 387-427

  12. Theoretical Approaches to ESR Spectroscopy

    • David Feller, Ernest R. Davidson
    Pages 429-455

  13. Rovibrational Averaging of Molecular Electronic Properties

    • Cynthia J. Jameson
    Pages 457-519

  14. Properties of Molecules in Excited States

    • M. Klessinger, T. Pötter
    Pages 521-544

  15. Semiclassical Interpretation of Intramolecular Interactions

    • J. Tomasi, G. Alagona, R. Bonaccorsi, C. Ghio, R. Cammi
    Pages 545-614

  16. The Analysis of Potential Energy Surfaces in Terms of the Diabatic Surface Model

    • Fernando Bernardi, Massimo Olivucci, Michael A. Robb
    Pages 615-638

  17. Back Matter

    Pages 639-640
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Keywords

About this book

The renowned theoretical physicist Victor F. Weisskopf rightly pointed out that a real understanding of natural phenomena implies a clear distinction between the essential and the peripheral. Only when we reach such an understanding - that is to say ­ when we are able to separate the relevant from the irrelevant, will the phenomena no longer appear complex, but intelectually transparent. This statement, which is generally valid, reflects the very essence ofmodelling in the quantum theory of matter, on the molecular level in particular. Indeed, without theoretical models one would be swamped by too many details embodied in intricate accurate molecular wavefunctions. Further, physically justified simplificqtions enable studies of the otherwise intractable systems and/or phenomena. Finally, a lack of appropriate models would leave myriads of raw experimental data totally unrelated and incomprehensible. The present series ofbooks dwells on the most important models of chemical bonding and on the variety of its manifestations. In this volume the electronic structure and properties of molecules are considered in depth. Particular attention is focused on the nature of intramolecular interactions which in turn are revealed by various types ofmolecular spectroscopy. Emphasis is put on the conceptual and interpretive aspects of the theory in line with the general philosophy adopted in the series.

Editors and Affiliations

  • Theoretical Chemistry Group, The “Rudjer Bošković” Institute, Zagreb, Croatia/Yugoslavia

    Zvonimir B. Maksić

  • Faculty of Natural Sciences and Mathematics, University of Zagreb, Zagreb, Croatia/Yugoslavia

    Zvonimir B. Maksić

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