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Accurate Molecular Structures: Their Determination and Importance

Handbook / Manual

602 pages, Illus

Oxford University Press

Hardback | Dec 1991 | #15341 | ISBN: 0198555563
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About this book

Modern experimental and computational techniques are capable of determining bond lengths and angles with precisions of a few thousandths of an angstrom and a few tenths of a degree. Such precisions are meaningful only if they are coupled with rigorous error analysis and careful evaluation of the physical meaning of the parameters. Here, internationally respected authors present all modern experimental and computational techniques for the determination of accurate molecular structures for the first time in one volume. They establish guidelines for accuracy requirements in answering broadly varying questions in current chemical research.

... an important book which will remain the standard work for teachers, students, and researchers for years to come. Acta Crystallographica


1. Structural Chemistry; 2. The Potential Energy Surface and the Meaning of Internuclear Distances; 3. Reliability of Structure Determinations by Microwave Spectroscopy; 4. Determination of Accurate Molecular Structure by Vibration-Rotation Spectroscopy; 5. Gas-phase Electron Diffraction; 6. X-ray Crystallography: An Introduction; 7. Measurement of Accurate Bragg Intensities; 8. Diffraction Studies of Molecular Motion in Crystals; 9. Lattice-dynamical Interpretation of Crystallographic Thermal Parameters; 10. The Role of Electron Density in X-ray Crystallography; 11. Accurate Crystal Structure Analysis by Neuron Diffraction; 12. Nuclear Magnetic Resonance Spectroscopy and Precise Molecular Geometries; 13. Quantum Mechanical Determination of Static and Dynamic Structure; 14. Molecular Mechanics; 15. Crystallographic Databases: Retrieval and Analysis of Precise Structural Information From the Cambridge Structural Database; 16. The Importance of Accurate Structure Determination in Organic Chemistry; 17. Structure Correlations, Reaction Pathways and Energy Surfaces for Chemical Reactions; 18. Structural Substituent Effects in Benzene Derivatives; 19. Effect of Crystal Environment on Molecular Structures; 20. The Importance of Accurate Structure Determination in Inorganic Chemistry; 21. Structural variability in metal cluster compounds

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