Computational Chemistry Book List: June 2004
1. Quantum Chemistry, 5th Edition,
by Ira N. Levine, Prentice-Hall Publishers, 1999, ISBN 0136855121
2. Chemical Applications of Molecular Modeling,
by Jonathan M. Goodman, Springer-Verlag Publishers, 1998, ISBN 0854045791
3. Computational Chemistry (Oxford Chemistry Primers, 29),
by Guy Grant and W.G. Richards, Oxford University Press, 1995, ISBN 019855740X
4. Computational Chemistry : A Practical Guide for Applying Techniques to Real World Problems,
by David Young, Wiley-Interscience; 2001, ISBN: 0471333689
5. An Introduction to Computational Chemistry,
by Frank Jensen, 1998, John Wiley & Son Ltd; ISBN: 0471984256
6. Molecular Modelling: Principles and Applications,
by Andrew R. Leach , 2001, Prentice Hall; ISBN: 0582382106
7. Quanta : A Handbook of Concepts,
by P. W. Atkins, 1991, Oxford University Press; ISBN: 0198555733
8. Modeling Molecular Structures , 2nd Edition,
by Alan Hincliffe, 2000, John Wiley & Sons; ISBN: 047148993X
9. A Handbook of Computational Chemistry: A Practical Guide to Chemical Structure and Energy Calculations,
by Tim Clark, 1985, Wiley-Interscience; ISBN: 0471882119
10. Ab Initio Molecular Orbital Theory,
by W.J. Hehre, L. Radom, P. Schleyer, J. Pople, 1986, John Wiley & Sons; ISBN: 0471812412
11. Essentials of Computational Chemistry : Theories and Models,
by Christoper Cramer, 2002, John Wiley & Sons; ISBN: 0471485527
12. Density-Functional Theory of Atoms and Molecules (International Series of Monographs on Chemistry, No 16,
by Robert G. Parr, Yang Weitao, 1994, Oxford University Press; ISBN: 0195092767
13. Modern Quantum Chemistry : Introduction to Advanced Electronic Structure Theory
by Attila Szabo, Neil S. Ostlund, 1996, Dover Pubs; ISBN: 0486691861
14. Molecular Mechanics across Chemistry,
by Anthony Rappe & Carla Casewit, 1997, University Science Books; ISBN: 0935702776
15. A Chemists' Guide to Density Functional Theory,
by W. Koch & M.C. Holthausen, 2001, Wiley-VCH; ISBN: 3527303723
16. Practical Strategies for Electronic Structure Calculations,
by Warren J. Hehre, 1995, Wavefunction, ISBN: 0964349515
17. The Molecular Modeling Workbook for Organic Chemistry,
by W.J. Hehre, A.J. Shusterman, J.E. Nelson, 1998, Wavefunction, ISBN: 1-890661-06-6
18. A Laboratory Book of Computational Organic Chemistry,
by W.J. Hehre, A.J. Shusterman, W.W. Huang, 1996, Wavefunction, ISBN: 0-9643495-5-8
19. A Brief Guide to Molecular Mechanics and Quantum Chemical Calculations,
by W.J. Hehre, J. Yu, P.E. Klunzinger, L. Lou, 1998, Wavefunction, ISBN: 1-890661-05-8
20. Exploring Chemistry with Electronic Structure Methods, 2nd Ed.,
by J.B. Foresman, AEleen Frisch, 2000, Gaussian, Inc., ISBN: 0-9636769-4-6
21. Excel for Chemists: A Comprehensive Guide, 2nd Edition,
by E. Joseph Billo, 2001, John Wiley & Sons; ISBN: 0471394629
22. Atoms in Molecules: A Quantum Theory,
by R.F.W. Bader, Oxford University Press, ; ISBN: 019855865
23. Molecular Modeling: Basic Principles and Applications, 2nd Edition,
by H.-D. Höltje, W. Sippl, D. Rognan, G. Folkers, 2003, Wiley-VCH; ISBN: 3527305890