Main navigation | Main content
Essentials of Computational Chemistry
Theories and Models
Book Reviews of the First and Second Edition
Bickelhaupt, F. M. Angew. Chem., Int. Ed. Engl. 2003, 42, 381.
Chatfield, D. Theor. Chem. Acc. 2002, 108, 367.
Flower, D. Chem. Brit. 2002, July, p. 63.
Horn, A. J. Chem. Inf. Comput. Sci., 2003, 43, 1720.
Jensen, F. J. Chem. Soc., Perkin Trans. 1 2002, 1599.
Johnston, R. L. ChemPhysChem 2003, 4, 402.
Knill, C. J.; Kennedy, J. F. Carbohyd. Poly. 2006, 65, 218. The predilection for authors' names to begin with a "K" appears to extend beyond those of the reviewers in this instance...
Speers, P. The Alchemist 2003, 29 April.
Williams, D. Chem. Ind. 2002, July, p. 23.
Back Panel of the Second Edition
Essentials of Computational Chemistry, Theories and Models, Second Edition provides an accessible introduction to this fast developing subject. Extensively revised and updated, the Second Edition has been carefully developed to encourage student understanding and to establish seamless connections with the primary literature for the advanced student. The book opens with a presentation of classical models, gradually moving on to increasingly more complex quantum mechanical and dynamical theories. Coverage and examples are drawn from inorganic, organic, and biological chemistry.
- Evolving topics like density functional theory, continuum solvation models, and computational thermochemistry brought firmly up to date.
0 470 09181 9 (Hardback)
0 470 09182 7 (Paperback)
Amazon and other online booksellers also have copies, of course.