Publisher Description

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 techniquesfor 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.

Author Biography

Aldo Domenicano is at University of L'Aquila. Istvan Hargittai is at Eotvos University, Budapest.

Table of Contents

1: Massimo Simonetta and Angela Gavezzotti: Structural Chemistry2: Kozo Kuchitsu: The Potential Energy Surface and the Meaning of Internuclear Distances3: Bouke P. van Eijck: Reliability of Structure Determinations by Microwave Spectroscopy4: Georges Craner: Determination of Accurate Molecular Structure by Vibration-Rotation Spectroscopy5: Istvan Hargittai: Gas-phase Electron Diffraction6: Jenny P. Glusker and Aldo Domenicano: X-ray Crystallography: An Introduction7: Paul Seiler: Measurement of Accurate Bragg Intensities8: Kenneth N. Trueblood: Diffraction Studies of Molecular Motion in Crystals9: Carlo M. Gramaccioli: Lattice-dynamical Interpretation of Crystallographic Thermal Parameters10: Fred L. Hirschfeld: The Role of Electron Density in X-ray Crystallography11: Georges A. Jeffrey: Accurate Crystal Structure Analysis by Neuron Diffraction12: Peter Diehl: Nuclear Magnetic Resonance Spectroscopy and Precise Molecular Geometries13: James E. Boggs: Quantum Mechanical Determination of Static and Dynamic Structure14: Norman L. Allinger: Molecular Mechanics15: Frank H. Allen: Crystallographic Databases: Retrieval and Analysis of Precise Structural Information From the Cambridge Structural Database16: Georges Wipff and Stephane Boudon: The Importance of Accurate Structure Determination in Organic Chemistry17: Valeria Ferretti and Katharina C. Dubler-Steudle and Hans-Beat Burgi: Structure Correlations, Reaction Pathways and Energy Surfaces for Chemical Reactions18: Aldo Domenicano: Structural Substituent Effects in Benzene Derivatives19: Joel Bernstein: Effect of Crystal Environment on Molecular Structures20: Jeremy K. Burdett: The Importance of Accurate Structure Determination in Inorganic Chemistry21: Vincenzo G. Albano and Dario Braga: Structural variability in metal cluster compounds

Review

`The authors of the various chapters and the editors have evidently put in a great deal of work, with the result that most contributions have gained in thoroughness, perspective, and clarity ... the original lecture notes have been transformed into an important book which will remain the standard woprk for teachers, students and researchers for many years to come.'Jack D. Dunitz, Laboratorium für organische Chemie, CH-8092 Zürich, Journal of Applied Crystallography, (1993)`. . . an important book which will remain the standard work for teachers, students, and researchers for years to come.' Acta Crystallographica

Long Description

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.

Review Text

`The authors of the various chapters and the editors have evidently put in a great deal of work, with the result that most contributions have gained in thoroughness, perspective, and clarity ... the original lecture notes have been transformed into an important book which will remain the standard woprk for teachers, students and researchers for many years to come.'
Jack D. Dunitz, Laboratorium für organische Chemie, CH-8092 Zürich, Journal of Applied Crystallography, (1993)
`. . . an important book which will remain the standard work for teachers, students, and researchers for years to come.' Acta Crystallographica

Review Quote

'The authors of the various chapters and the editors have evidently put ina great deal of work, with the result that most contributions have gained inthoroughness, perspective, and clarity ... the original lecture notes have beentransformed into an important book which will remain the standard woprk forteachers, students and researchers for many years to come.'Jack D. Dunitz, Laboratorium fur organische Chemie, CH-8092 Zurich, Journal ofApplied Crystallography, (1993)

Details