Rights Contact Login For More Details
- Wiley
More About This Title Essentials of Computational Chemistry - Theories & Models
English
Molecular Mechanics
Simulations of Molecular Ensembles
Foundations of Molecular Orbital Theory
Semiempirical Implementations of Molecular Orbital Theory
Ab Initio Implementations of Hartree-Fock Molecular Orbital Theory
Including Electron Correlation in Molecular Orbital Theory
Density Functional Theory
Charge Distribution and Spectroscopic Properties
Thermodynamic Properties
Implicit Models for Condensed Phases
Explicit Models for Condensed Phases
Hybrid Quantal/Classical Models
Excited Electronic States
Adiabatic Reaction Dynamics
Appendix A Acronym Glossary
Appendix B Symmetry and Group Theory
Appendix C Spin Algebra
Appendix D Orbital Localization
English
"...this is a first rate book...I am happy to recommend it... (Chemistry in Britain, July 2002)
"...an excellent example of how mainstream computational chemistry models can be introduced to the novice..." (Perkin Transactions)
"...an excellent introduction to the field...this is a fine and practical book..." (Theoretical Chemistry Accounts, December 2002)
"...an excellent textbook, ideally suited for bridging the gap between introductory quantum mechanics and specialist theoretical chemistry textbooks...this book will become a bestseller in the field." (Angewandte Chemie International Edition, Vol. 42, No. 4, 2003)
"...I think this book has a lot to recommend to undergraduate students .... Professor Cramer has done a superb job and deserves congratulating." (The Alchemist, 13 May 2003)
"...accessible and easy to read...well-written and the presentation is good..." (Euro Jnl of Chemical Phys and Physical Chem. Vol.110, No.4, 2003)
