04177nam 2200709Ia 450 991045068160332120200520144314.00-19-756087-31-280-52811-797866105281100-19-535694-21-4294-1461-8(CKB)1000000000413649(EBL)273427(OCoLC)476016223(SSID)ssj0000275600(PQKBManifestationID)12063210(PQKBTitleCode)TC0000275600(PQKBWorkID)10223129(PQKB)11434659(MiAaPQ)EBC273427(StDuBDS)EDZ0002337983(Au-PeEL)EBL273427(CaPaEBR)ebr10358252(CaONFJC)MIL52811(OCoLC)466432442(EXLCZ)99100000000041364919961030d1997 uy 0engur|n|---|||||txtccrX-ray charge densities and chemical bonding[electronic resource] /Philip Coppens[Chester, England] International Union of Crystallography ; Oxford ;New York Oxford University Press19971 online resource (373 p.)International Union of Crystallography texts on crystallography ;4Previously issued in print: 1997.0-19-509823-4 Includes bibliographical references (p. 328-346) and index.Contents; Chapter 1 Scattering of X-rays and Neutrons; Chapter 2 The Effect of Thermal Vibrations on the Intensities of the Diffracted Beams; Chapter 3 Chemical Bonding and the X-ray Scattering Formalism; Chapter 4 Least-Squares Methods and Their Use in Charge Density Analysis; Chapter 5 Fourier Methods and Maximum Entropy Enhancement; Chapter 6 Space Partitioning and Topological Analysis of the Total Charge Density; Chapter 7 The Electrostatic Moments of a Charge Distribution; Chapter 8 X-ray Diffraction and the Electrostatic PotentialChapter 9 The Electron Density and the Lattice Energy of CrystalsChapter 10 Charge Density Studies of Transition Metal Compounds; Chapter 11 The Charge Density in Extended Solids; Chapter 12 Electron Density Studies of Molecular Crystals; Appendix A: Tensor Notation; Appendix B: Symmetry and Symmetry Restrictions; Appendix C: The 50% Probability Ellipsoid; Appendix D: Spherical Harmonic Functions; Appendix E: Products of Spherical Harmonic Functions; Appendix F: Energy-Optimized Single-ζ Slater Values for Subshells of Isolated Atoms; Appendix G: Fourier-Bessel TransformsAppendix H: Evaluation of the Integrals A[sub(N)],[sub(l)[sub(1)]][sub(l)[sub(2)]][sub(k)](Z, R) Occurring in the Expression for the Peripheral Contribution to the Electrostatic PropertiesAppendix I: The Matrix M[sup(-1)] Relating d-Orbital Occupancies P[sub(ij)] to Multipole Populations P[sub(lmp)]; Appendix J: The Interaction Between Two Nonoverlapping Charge Distributions; Appendix K: Conversion Factors; Appendix L: Selected Exercises; References; IndexThis book deals with the electron density distribution in molecules and solids as obtained experimentally by X-ray diffraction. It is a comprehensive treatment of the methods involved, and the interpretation of the experimental results in terms of chemical bonding and intermolecular interactions. Inorganic and organic solids as well as metals are covered in the chapters dealing with specific systems.International Union of Crystallography texts on crystallography ;4.X-ray crystallographyChemical bondsElectron distributionElectronic books.X-ray crystallography.Chemical bonds.Electron distribution.548/.3Coppens Philip915062International Union of Crystallography,MiAaPQMiAaPQMiAaPQBOOK9910450681603321X-ray charge densities and chemical bonding2050823UNINA