Introduction to computational chemistry /
| Main Author: | |
|---|---|
| Format: | Book |
| Language: | English |
| Published: |
Chichester, England ; Hoboken, NJ :
John Wiley & Sons,
©2007.
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| Edition: | 2nd ed. |
| Subjects: | |
| Online Access: | http://search.ebscohost.com/login.aspx?direct=true&scope=site&db=nlebk&AN=185524 |
Table of Contents:
- Force field methods
- Electronic structure methods
- Electron correlation methods
- Basis sets
- Density functional methods
- Valence bond methods
- Relativistic methods
- Wave function analysis
- Molecular properties
- Illustrating the concepts
- Optimization techniques
- Statistical mechanics and transition state theory
- Simulation techniques
- Qualitative theories
- Mathemtical methods
- Statistics and QSAR.