1. Computations of Noncovalent π Interactions

  1. Kenny B. Lipkowitz4 and
  2. Thomas R. Cundari5
  1. C. David Sherrill1,2,3

Published Online: 6 JAN 2009

DOI: 10.1002/9780470399545.ch1

Reviews in Computational Chemistry, Volume 26

Reviews in Computational Chemistry, Volume 26

How to Cite

Sherrill, C. D. (2009) Computations of Noncovalent π Interactions, in Reviews in Computational Chemistry, Volume 26 (eds K. B. Lipkowitz and T. R. Cundari), John Wiley & Sons, Inc., Hoboken, NJ, USA. doi: 10.1002/9780470399545.ch1

Editor Information

  1. 4

    Office of Naval Research, 875 North Randolph Street, Arlington, VA 22203-1995, USA

  2. 5

    Department of Chemistry, University of North Texas, Box 305070, Denton, Texas 76203-5070, USA

Author Information

  1. 1

    Center for Computational Molecular Science and Technology, School of Chemistry and Biochemistry, Georgia Institute of Technology, Atlanta, Georgia

  2. 2

    College of Computing, Georgia Institute of Technology, Atlanta, Georgia

  3. 3

    Department of Chemistry and Biochemistry, Georgia Institute of Technology, 770 State Street, Atlanta, GA 30332 USA

Publication History

  1. Published Online: 6 JAN 2009
  2. Published Print: 20 OCT 2008

ISBN Information

Print ISBN: 9780470388396

Online ISBN: 9780470399545

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Keywords:

  • noncovalent π interactions computations;
  • noncovalent interactions and robust electronic structure methods;
  • electron correlation and basis set effects

Summary

This chapter contains sections titled:

  • Introduction

  • Challenges for Computing π Interactions

  • Reducing Computational Cost

  • Analysis Using Symmetry-Adapted Perturbation Theory

  • Concluding Remarks

  • Appendix: Extracting Energy Components from the SAPT2006 Program

  • Acknowledgments

  • References