Chapter 24. Solvation

  1. David C. Young

Published Online: 25 APR 2002

DOI: 10.1002/0471220655.ch24

Book Title

Computational Chemistry: A Practical Guide for Applying Techniques to Real World Problems

Computational Chemistry: A Practical Guide for Applying Techniques to Real World Problems

Additional Information

How to Cite

Young, D. C. (2002) Solvation, in Computational Chemistry: A Practical Guide for Applying Techniques to Real World Problems, John Wiley & Sons, Inc., New York, USA. doi: 10.1002/0471220655.ch24

Author Information

  1. Cytoclonal Pharmaceutics Inc.

Publication History

  1. Published Online: 25 APR 2002
  2. Published Print: 21 FEB 2001

ISBN Information

Print ISBN: 9780471333685

Online ISBN: 9780471220657

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CHAPTER TOOLS

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Keywords:

  • explicit solvent simulations;
  • analytic equations;
  • group additivity methods;
  • continuum methods;
  • LSER;
  • QSPR;
  • PMF;
  • SASA;
  • Poisson equation;
  • Onsager;
  • PCM;
  • SCRF;
  • Poisson-Boltzmann;
  • Born model;
  • SM1;
  • SM2;
  • SM3;
  • SM4;
  • SM5;
  • GB/SA;
  • COSMO;
  • SCI-PCM

Summary

Chapter 24 discusses the computation of solvation effects. A discussion of the physical basis for solvation effects is presented.

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