InhaltsangabeList of Contributors. Preface. 1. XRay Crystallography: A History of Ideas; H.A. Hauptman. 2. Microwave Spectroscopy; H. Møllendal. 3. Infrared Spectroscopy; J. Demaison. 4. GasPhase Electron Diffraction; A. Domenicano. 5. A Spectroscopist's View on the Structural Problem; V.A. Sipachev. 6. Aspects of Structural Chemistry in Molecular Biology; M. Hargittai, I. Hargittai. 7. Magic and Mysteries of Modern Molecular Dynamics Simulations, A Basic Introduction; U. Rothlisberger. 8. Phases, Phase Changes, and the Thermodynamics of Small Systems; R.S. Berry. 9. Relativistic Effects in Molecular Structure of s- and p-Block Elements; P. Schwerdtfeger. 10. Metal Halide Molecular Structures; M. Hargittai. 11. Strength from Weakness; Inorganic Structures; C. Aubauer, et al. 12. The Myth about Planarity of Olefinic Carbon Atoms: An ab initio Study; V.S. Mastryukov. 13. Polymorphism; J. Bernstein. 14. Hydrogen Bond at the Dawn of the XXI Century. New Methods, New Results, New Ideas; P. Gilli, G. Gilli. 15. Improper, Blue-Shifting Hydrogen Bond: Theory and Experiment; P. Hobza. 16. From Molecules to Supermolecules: A Theoretical Approach; J. Leszczynski. 17. Strength from Motion in Crystals: The Example of Supramolecular Adducts; P. Sozzani, et al. 18. Crystal Engineering from Weakness to Strength - An Overview; D. Braga, et al. 19. Controlling Molecular Synthesis in the Solid State Using LinearTemplates; L.R. MacGillivray. 20. Ab Initio Molecular Dynamical Simulation on H2 Adsorption and Storage in Carbon-Based Materials; H. Cheng, et al. 21. FirstPrinciples Studies on Heterogeneous Catalysis of Amination: Mechanisms and Support Effects; H. Cheng, et al. Subject Index.

List of Contributors. Preface. 1. X-Ray Crystallography: A History of Ideas; H.A. Hauptman. 2. Microwave Spectroscopy; H. Mollendal. 3. Infrared Spectroscopy; J. Demaison. 4. Gas-Phase Electron Diffraction; A. Domenicano. 5. A Spectroscopist''s View on the Structural Problem; V.A. Sipachev. 6. Aspects of Structural Chemistry in Molecular Biology; M. Hargittai, I. Hargittai. 7. Magic and Mysteries of Modern Molecular Dynamics Simulations, A Basic Introduction; U. Rothlisberger. 8. Phases, Phase Changes, and the Thermodynamics of Small Systems; R.S. Berry. 9. Relativistic Effects in Molecular Structure of s- and p-Block Elements; P. Schwerdtfeger. 10. Metal Halide Molecular Structures; M. Hargittai. 11. Strength from Weakness; Inorganic Structures; C. Aubauer, et al. 12. The Myth about Planarity of Olefinic Carbon Atoms: An ab initio Study; V.S. Mastryukov. 13. Polymorphism; J. Bernstein. 14. Hydrogen Bond at the Dawn of the XXI Century. New Methods, New Results, New Ideas; P. Gilli, G. Gilli. 15. Improper, Blue-Shifting Hydrogen Bond: Theory and Experiment; P. Hobza. 16. From Molecules to Supermolecules: A Theoretical Approach; J. Leszczynski. 17. Strength from Motion in Crystals: The Example of Supramolecular Adducts; P. Sozzani, et al. 18. Crystal Engineering from Weakness to Strength - An Overview; D. Braga, et al. 19. Controlling Molecular Synthesis in the Solid State Using Linear Templates; L.R. MacGillivray. 20. Ab Initio Molecular Dynamical Simulation on H2 Adsorption and Storage in Carbon-Based Materials; H. Cheng, et al. 21. First-Principles Studies on Heterogeneous Catalysis of Amination: Mechanisms and Support Effects; H. Cheng, et al. Subject Index.

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