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Appendix A: Software Packages

  1. David C. Young

Published Online: 25 APR 2002

DOI: 10.1002/0471220655.app1

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) Appendix A: Software Packages, in Computational Chemistry: A Practical Guide for Applying Techniques to Real World Problems, John Wiley & Sons, Inc., New York, USA. doi: 10.1002/0471220655.app1

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:

  • Alchemy;
  • Chem3D;
  • ChemSketch;
  • HyperChem;
  • NWChem;
  • SPARTAN;
  • UniChem;
  • ADF;
  • Crystal;
  • GAMESS;
  • Gaussian;
  • Jaguar;
  • MOLPRO;
  • Q-Chem;
  • AMPAC;
  • MOPAC;
  • YAeHMOP;
  • MacroModel;
  • MOE;
  • PC Model;
  • Tinker;
  • Gauss View;
  • Molden;
  • WebLab Viewer;
  • Babel;
  • CHEOPS;
  • CODESSA;
  • gNMR;
  • MedChem Explorer;
  • POLYRATE;
  • QCPE;
  • SynTree

Summary

The appendix gives brief reviews of some of the software packages available for computational chemistry calculations.

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