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Molecular Aggregation Structure Analysis and Molecular Simulation of Crystals and Liquids,9780199673650
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Molecular Aggregation Structure Analysis and Molecular Simulation of Crystals and Liquids

by
Edition:
Reprint
ISBN13:

9780199673650

ISBN10:
0199673659
Format:
Paperback
Pub. Date:
5/19/2013
Publisher(s):
Oxford University Press
List Price: $85.33

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This is the Reprint edition with a publication date of 5/19/2013.
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  • The New copy of this book will include any supplemental materials advertised. Please check the title of the book to determine if it should include any CDs, lab manuals, study guides, etc.

Table of Contents


Part I: Fundamentals
1. The molecule: structure, size and shape
2. Molecular vibrations and molecular force fields
3. Quantum chemistry
4. The physical nature and the computer simulation of the intermolecular potential
5. Crystal symmetry and X-ray diffraction
6. Periodic systems: crystal orbitals and lattice dynamics
7. Molecular structure and macroscopic properties: calorimetry and thermodynamics
8. Correlation studies in organic solids
9. The liquid state
10. Computers
Part II: The frontier
11. Structure-property and structure-activity relationships
12. Intermolecular bonding
13. Phase equilibria, phase changes, and mesophases: analysis and simulation
14. Crystal polymorphism and crystal structure prediction
15. Epilogue: a theory of crystallization?
Index


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