Modern experimental and computational techniques are capable of determining bond lengths and angles with precisions of a few thousandths of an ångström 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.
Readership: Graduate students and researchers in physical chemistry, structural chemistry, spectroscopy, crystallography, materials science, physical organic chemistry, study of structures/activity relationships. A reference for advanced undergraduates in these areas.
Edited by Aldo Domenicano, Professor of Structural Chemistry, University of L'Aquila, Italy, and István Hargittai, Professor and Head of the Structural Chemistry Research Group of the Hungarian Academy of Sciences, Eötvös University, Budapest, Hungary
". . . an important book which will remain the standard work for teachers, students, and researchers for years to come." - Acta Crystallographica
1: Massimo Simonetta and Angela Gavezzotti: Structural Chemistry 2: Kozo Kuchitsu: The Potential Energy Surface and the Meaning of Internuclear Distances 3: Bouke P. van Eijck: Reliability of Structure Determinations by Microwave Spectroscopy 4: Georges Craner: Determination of Accurate Molecular Structure by Vibration-Rotation Spectroscopy 5: Istvan Hargittai: Gas-phase Electron Diffraction 6: Jenny P. Glusker and Aldo Domenicano: X-ray Crystallography: An Introduction 7: Paul Seiler: Measurement of Accurate Bragg Intensities 8: Kenneth N. Trueblood: Diffraction Studies of Molecular Motion in Crystals 9: Carlo M. Gramaccioli: Lattice-dynamical Interpretation of Crystallographic Thermal Parameters 10: Fred L. Hirschfeld: The Role of Electron Density in X-ray Crystallography 11: Georges A. Jeffrey: Accurate Crystal Structure Analysis by Neuron Diffraction 12: Peter Diehl: Nuclear Magnetic Resonance Spectroscopy and Precise Molecular Geometries 13: James E. Boggs: Quantum Mechanical Determination of Static and Dynamic Structure 14: Norman L. Allinger: Molecular Mechanics 15: Frank H. Allen: Crystallographic Databases: Retrieval and Analysis of Precise Structural Information From the Cambridge Structural Database 16: Georges Wipff and Stephane Boudon: The Importance of Accurate Structure Determination in Organic Chemistry 17: Valeria Ferretti and Katharina C. Dubler-Steudle and Hans-Beat Burgi: Structure Correlations, Reaction Pathways and Energy Surfaces for Chemical Reactions 18: Aldo Domenicano: Structural Substituent Effects in Benzene Derivatives 19: Joel Bernstein: Effect of Crystal Environment on Molecular Structures 20: Jeremy K. Burdett: The Importance of Accurate Structure Determination in Inorganic Chemistry 21: Vincenzo G. Albano and Dario Braga: Structural variability in metal cluster compounds
