Nuclear Magnetic Shieldings and Molecular Structure

  • J. A. Tossell

Part of the NATO ASI Series book series (ASIC, volume 386)

Table of contents

  1. Front Matter
    Pages i-xvi
  2. Invited Lectures

    1. Hellmut Eckert, Kelly Moran, Deanna Franke, Christopher Hudalla
      Pages 49-73
    2. W. Kutzelnigg, Ch. van Wüllen, U. Fleischer, R. Franke, T. v. Mourik
      Pages 141-161
    3. Brian L. Phillips, R. James Kirkpatrick, Yuehui Xiao, John G. Thompson
      Pages 203-220
    4. R. E. Wasylishen, R. D. Curtis, K. Eichele, M. D. Lumsden, G. H. Penner, W. P. Power et al.
      Pages 297-314
    5. Stephan P. A. Sauer, J. Oddershede
      Pages 351-365
    6. David M. Grant, Julio C. Facelli, D. W. Alderman, Mark H. Sherwood
      Pages 367-384
    7. R. Dupree, S. C. Kohn, C. M. B. Henderson, A. M. T. Bell
      Pages 421-434
    8. Joan Mason
      Pages 449-471
    9. Michael W. Anderson, Jacek Klinowski
      Pages 473-494
    10. Joseph H. Iwamiya, Gary E. Maciel
      Pages 495-522
    11. Paul D. Ellis, Jerome D. Odom, Andrew S. Lipton, Qingping Chen, James M. Gulick
      Pages 539-555
    12. Cynthia J. Jameson
      Pages 557-560
  3. Abstracts of Poster Presentations

    1. Michael Bühl, Alexander M. Mebel, Oleg P. Charkin, Paul von Ragué Schleyer, Angel C. de Dios, Cynthia J. Jameson et al.
      Pages 561-577
  4. Back Matter
    Pages 579-584

About this book


Modern approaches to the theoretical computation and experimental determination of NMR shielding tensors are described in twenty-nine papers based on lectures presented at the NATO ARW. All of the most popular computational methods are reviewed and recent progress is described in their application to chemical, biochemical, geochemical and materials science problems. Experimental studies on NMR shieldings in gases, liquids and solids are also included, with special emphasis placed upon the relationship between NMR shielding and geometric structure and upon tests of the accuracy of the various computational methods. Qualitative MO schemes and semiempirical approaches are also considered in light of the computational results. This is a valuable book for anyone interested in how the NMR shielding tensor can be used to determine the geometric and electronic structures of molecules and solids. (abstract) Modern methods for computing and measuring nuclear magnetic resonance shielding tensors are described in papers by a great number of leaders in the field. The most popular methods for quantum mechanically calculating NMR shielding tensors are reviewed and many applications of these methods are described to problems in chemistry, biochemistry, geochemistry and materials science. The focus of the papers is on the relationship of the NMR shielding tensor to the geometric and electronic structure of molecules or solids.


NMR Substitution ab initio calculation ceramic chemistry formation gas geochemistry isotope metals mineral mineralogy phosphorus spectroscopy structure

Editors and affiliations

  • J. A. Tossell
    • 1
  1. 1.Department of Chemistry and BiochemistryUniversity of MarylandCollege ParkUSA

Bibliographic information

  • DOI
  • Copyright Information Kluwer Academic Publishers 1993
  • Publisher Name Springer, Dordrecht
  • eBook Packages Springer Book Archive
  • Print ISBN 978-94-010-4722-7
  • Online ISBN 978-94-011-1652-7
  • Series Print ISSN 1389-2185
  • Buy this book on publisher's site