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Molecular Modelling for Beginners 2/e

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ÁöÀºÀÌ :  Hinchliffe
¹ßÇàÀÏ :  2008 ³â
ISBN :  9780470513149
Á¤Çà°¡ :  36,000 ¿ø
ÆäÀÌÁö :  431 ÆäÀÌÁö
ÆÇÇà¼ö :  2ÆÇ
ÃâÆÇ»ç :  Wiley

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Physical Chemistry 4/e
Laser Chemistry: Spectroscopy, Dynamics & Applications

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1. Electric Charges and their Properties
2. The Forces between Molecules
3. Balls on Springs
4. Molecular Mechanics
5. The Molecular Potential Energy Surface
6. Molecular Mechanics Examples
7. Sharing out the Energy
8. Introduction to Statistical Thermodynamics
9. Monte Carlo Simulations
10. Molecular Dynamics
11. Introduction to Quantum Modeling
12. Quantum Gases
13. One-Electron Atoms
14. The Orbital Model
15. Simple molecules
16. The HF-LCAO model
17. HF-LCAO Examples
18. Semiempirical Models
19. Electron Correlation
20. Density Functional Theory and the Kohn-Sham LCAO equations
21. Accurate Thermodynamic Properties; the Gn models
22. Transition States
23. Dealing with the Solvent
24. Hybrid Models; the QM/MM Approach
¢ºAppendix