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Use of the Electrostatic Potential as a Guide to Understanding Molecular Properties

  • Jacopo Tomasi

Abstract

Electrostatic models in chemistry have a long history, dating back to Faraday’s time, and were never completely abandoned even after the advent of quantum theory. Recently though there has been a revival of interest. This revival, of which the present book is a manifestation, is not a direct filiation of such early models, but rather derives from the progress made in the last ten years in using computers to get descriptions of increasing complexity for the electronic wave functions of molecules of considerable size, isolated or interacting. The amount of numerical information available to and being generated by theoretical chemists today is enormous, and the present situation, which surpasses the hopes and the dreams of the preceding generation of theoreticians, creates new problems.

Keywords

Electrostatic Potential Molecular Property Proton Affinity Electrostatic Molecular Potential Mutual Polarization 
These keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves.

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Copyright information

© Springer Science+Business Media New York 1981

Authors and Affiliations

  • Jacopo Tomasi
    • 1
  1. 1.Istituto di Chimica Quantistica ed Energetica Molecolare del C.N.R. via RisorgimentoPisaItaly

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