| Description |
1 online resource (529 p.) |
| Contents |
Cover -- Title Page -- Copyright Page -- Contents -- Preface -- Glossary -- The world of an electron -- 1 Introduction. The electron density concept in physics and chemistry -- 2 Theory -- 2.1 Methods of ground state quantum chemistry -- 2.2 Methods of the density functional theory -- 2.3 The quality of the theoretical electron densities -- 2.4 Quantum mechanics and topology of the electron density -- 2.5 Electric field characteristics of molecules and crystals -- 3 X-ray diffraction experiment -- 3.1 Physical principles of the electron density reconstruction |
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3.2 Precise measurements of the diffracted x-ray beam intensities -- 3.3 From intensities to kinematic structure amplitudes -- 3.4 Crystallographic structural models -- 3.5 Quantum chemical models -- 3.6 Electron densities via Fourier series -- 3.7 Accuracy of the experimental electron density -- 4 New and complementary methods in electron density investigations -- 4.1 Synchrotron radiation in x-ray diffractometry -- 4.2 Gamma diffractometry -- 4.3 Precise structure amplitude determination by the pendellösung effect -- 4.4 High-energy electron diffraction -- 4.5 Schwinger scattering of neutrons |
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5 Magnetization and spin density -- 6 Electron density and the chemical bond -- 6.1 Concepts of the chemical bond -- 6.2 Atomic charges and pseudoatomic moments -- 6.3 Deformation electron density -- 6.4 Quantum topological theory and the chemical bond -- 6.5 The nature of the chemical bond -- 7 Electron density and crystal properties -- 7.1 Electrostatic effects -- 7.2 Diamagnetic susceptibility -- 7.3 Optical characteristics -- Epilogue -- Appendices -- A The systems of units -- B Vibrating atoms in crystals as quantum oscillators -- C Atomic orbitals and their analytical approximations |
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D Electrostatic potential distribution in atoms -- E Creation and annihilation operators -- F Reciprocal space -- G Thermal diffuse scattering of x-rays and neutrons -- H Statistics in x-ray structure analysis -- I Fourier transformations of atomic orbital products -- J Least squares in crystallographic structural model refinement -- K Neutron scattering in electron density studies -- References -- Index |
| Notes |
Description based upon print version of record |
| Form |
Electronic book
|
| Author |
Ozerov, R. P
|
| ISBN |
9781000157161 |
|
1000157164 |
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