Del 1 - International Union of Crystallography Monographs on Crystallography

Accurate Molecular Structures

Their Determination and Importance

Inbunden, Engelska, 1992

AvAldo Domenicano,István Hargittai,Italy) Domenicano, Aldo (Professor of Structural Chemistry, Professor of Structural Chemistry, University of L'Aquila,Hungary) Hargittai, Istvan (Professor and Head of the Structural Chemistry Research Group of the Hungarian Academy of Sciences, Professor and Head of the Structural Chemistry Research Group of the Hungarian Academy of Sciences, Eotvos University, Budapest,Istvban Hargittai,Istvan Hargittai

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Modern experimental and computational techniques are capable of determining bond lengths and angles with precisions of a few thousandths of an oangström 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.

Produktinformation

Utgivningsdatum1992-03-19
Mått160 x 241 x 38 mm
Vikt1 072 g
FormatInbunden
SpråkEngelska
SerieInternational Union of Crystallography Monographs on Crystallography
Antal sidor602
FörlagOUP International Union of Crystallography
ISBN9780198555568

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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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