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X-ray charge densities and chemical bonding [[electronic resource] /] / Philip Coppens
| X-ray charge densities and chemical bonding [[electronic resource] /] / Philip Coppens |
| Autore | Coppens Philip |
| Pubbl/distr/stampa | [Chester, England], : International Union of Crystallography ; Oxford |
| Descrizione fisica | 1 online resource (373 p.) |
| Disciplina | 548/.3 |
| Collana | International Union of Crystallography texts on crystallography |
| Soggetto topico |
X-ray crystallography
Chemical bonds Electron distribution |
| Soggetto genere / forma | Electronic books. |
| ISBN |
0-19-756087-3
1-280-52811-7 9786610528110 0-19-535694-2 1-4294-1461-8 |
| Formato | Materiale a stampa  |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto |
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 Potential
Chapter 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 Transforms Appendix 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; Index |
| Record Nr. | UNINA-9910450681603321 |
Coppens Philip
|
||
| [Chester, England], : International Union of Crystallography ; Oxford | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
X-ray charge densities and chemical bonding [[electronic resource] /] / Philip Coppens
| X-ray charge densities and chemical bonding [[electronic resource] /] / Philip Coppens |
| Autore | Coppens Philip |
| Pubbl/distr/stampa | [Chester, England], : International Union of Crystallography ; Oxford |
| Descrizione fisica | 1 online resource (373 p.) |
| Disciplina | 548/.3 |
| Collana | International Union of Crystallography texts on crystallography |
| Soggetto topico |
X-ray crystallography
Chemical bonds Electron distribution |
| ISBN |
0-19-756087-3
1-280-52811-7 9786610528110 0-19-535694-2 1-4294-1461-8 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto |
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 Potential
Chapter 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 Transforms Appendix 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; Index |
| Record Nr. | UNINA-9910777311903321 |
|
Coppens Philip
|
||
| [Chester, England], : International Union of Crystallography ; Oxford | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||