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. This book demonstrates the meaning and applicability of accurate structures and their variations following a rigorous exposure of the demands and caveats in their determination. It establishes guidelines for accuracy requirements in answering broadly varying…mehr
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. This book demonstrates the meaning and applicability of accurate structures and their variations following a rigorous exposure of the demands and caveats in their determination. It establishes guidelines for accuracy requirements in answering broadly varying questions in current chemical research. The 21 chapters by internationally recognized authors discuss the following topics: potential energy surfaces; microwave, infrared, and liquid crystal NMR spectroscopies; gas phase electron diffraction; X-ray and neutron crystallography; electron density studies; ab initio molecular orbital methods and molecular mechanics calculations; the use of structural databases; applications to organic inorganic and organometallic chemistry; studies of reaction pathways; effects of substitution and crystal environment on molecular structure.
* 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
* 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
Es gelten unsere Allgemeinen Geschäftsbedingungen: www.buecher.de/agb
Impressum
www.buecher.de ist ein Shop der buecher.de GmbH & Co. KG Bürgermeister-Wegele-Str. 12, 86167 Augsburg Amtsgericht Augsburg HRA 13309