Introduction to Computational Chemistry


CompChem Main Page

Electronic Reading List

COURSE REFERENCES

This course was designed primarily from these resources:
  1. Hehre, W., Radom, L., Schleyer, P., Pople, J. Ab Initio Molecular Orbital Theory, John Wiley and Sons, New York, 1985. ISBN: 0-471-81241-2.

  2. Hincliffe, A.. Modelling molecular structures, John Wiley and Sons, New York, 1996. ISBN: 0-471-95923 (paper).

  3. Clark, T. A Handbook of Computational Chemistry, John Wiley and Sons, New York, 1985. ISBN: 0-471-88211-9.

  4. Hehre, W. Practical Strategies for Electronic Structure Calculations, Wavefunction, 1995. ISBN: 0-9643495-1-5.

  5. Frisch, M., Foresman, J., Frish, A. Gaussian94 User's Reference, Gaussian Inc., 1992.

  6. Frisch, M., Foresman, J., Frish, A. Gaussian92 User's Guide, Gaussian Inc., 1992.

  7. Foresman, J., Frisch, A. Exploring Chemistry with Electronic Structure Methods, Gaussian Inc., 1993. ISBN: 0-9636769-0-3.

  8. Foresman, J., Frisch, A. Exploring Chemistry with Electronic Structure Methods, Second Edition, Gaussian Inc., 1995-6. ISBN: 0-9636769-3-8.

  9. Atkins, P.W.. Quanta, Oxford University Press, New York, 1991. ISBN: 0-19-855572-5.

  10. Hehre, W.J., Huang, W.W. Chemistry with Computation, Wavefunction, Inc., 1995. ISBN: 0-9643495-2-3

  11. Hehre, W.J., Shusterman, A.J., Huang, W.W. A Laboratory Book of Computational Organic Chemistry, Wavefunction, Inc., 1996. ISBN: 0-9643495-5-8

  12. Translational College of LEX. What is Quantum Mechanics?: A Physics Adventure. Language Research Foundation, Boston, 1996. ISBN: 0-9643504-1-6.


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