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Introduction to Computational Chemistry 2/e |
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: Jensen |
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: 2007 ³â |
ISBN |
: 9780470011874 |
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: 59,000 ¿ø |
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: 619 ÆäÀÌÁö |
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: 2ÆÇ |
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: Wiley |
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1. Introduction
2. Force Field Methods
3. Electronic Structure Methods: Independent-Particle Models
4. Electron Correlation Methods
5. Basis Sets
6. Density Functional Methods
7. Valence Bond Methods
8. Relativistic Methods
9. Wave Function Analysis
10. Molecular Properties
11. Illustrating the Concepts
12. Optimization Techniques
13. Statistical Mechanics and Transition State Theory
14. Simulation Techniques
15. Qualitative Theories
16. Mathematical Methods
17. Statistics and QSAR
18. Concluding Remarks
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