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List of contents
Section 1 Introduction.- Concepts of Charge Density Analysis: The Theoretical Approach.- Concepts of Charge Density Analysis: The Experimental Approach.- Section 2 Theoretical Considerations.- Density Functional Theory.- Quantum Model of the Coherent Diffraction Experiment: Recent Generalizations and Applications.- The Influence of Relativity on Molecular Properties: A Review of the Relativistic Hartree-Fock-Slater Method.- Section 3 Extended Solids: Theoretical and Experimental Results.- Theoretical Determination of Electronic Charge Densities in Covalently Bonded Semiconductors.- Fermi Gas Approach to X-Ray Scattering by Metallic Solids.- Theoretical and Experimental Charge Distributions in Euclase and Stishovite.- Electron Deformation Density in Calcium Beryllide.- Section 4 Molecular Solids: Theoretical Results.- Computation and Interpretation of Electron Distributions in Inorganic Molecules.- Electron Deformation Density Distributions in Binuclear Complexes of Transition Metals: Computation and Interpretation from ab initio Molecular Orbital Wavefunctions.- Experimental Versus Theoretical Electron Densities: Methods and Errors.- Section 5 Molecular Solids: Experimental Results.- Experimental Observation of Tellurium Lone-Pair and Molybdenum-Molybdenum Triple and Quadruple Bond Densities.- Deformation Density Determinations (X-X, X-N) of Organometallic Compounds.- Analysis of Electronic Structure from Electron Density Distributions of Transition Metal Complexes.- Neutron Scattering by Paramagnets: Wave Functions of Antibonding States in Transition Metal Complexes.- Electron Density Distribution in the Bonds of Cumulenes and Small Ring Compounds.- Section 6 Electrostatic Properties.- Pseudomolecular Electrostatic Properties from X-Ray Diffraction Data.- Refinement ofCharge Density Models Using Constraints for Electric Field Gradients at Nuclear Positions.- The Study of Molecular Electron Distribution by X-Ray Photoelectron Spectroscopy.- Electron Density Functions in Organic Chemistry.
