Introduction to Computational Chemistry

Frank Jensen
Wiley–Blackwell, 9/25/1998
EAN 9780471984252, ISBN10: 0471984256

Paperback, 446 pages, 24.5 x 19.1 x 2.5 cm
Language: English
Originally published in English

Force Field Methods.

Electronic Structure Methods.

Electron Correlation Methods.

Basis Sets.

Density Functional Theory.

Valence Bond Methods.

Relativistic Methods.

Wave Function Analysis.

Molecular Properties.

Illustrating the Concepts.

Transition State Theory and Statistical Mechanics.

Change of Coordinate System.

Optimization Techniques.

Qualitative Theories.

Simulations, Time–dependent Methods and Solvation Models.

Concluding Remarks.

Appendices.

Index.