2012

Modern Charge-Density Analysis

Editors:

ISBN: 978-90-481-3835-7 (Print) 978-90-481-3836-4 (Online)

Table of contents (21 chapters)

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  1. Front Matter

    Pages i-xxiii

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    Book Chapter

    Pages 1-78

    A Guided Tour Through Modern Charge Density Analysis

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    Book Chapter

    Pages 79-132

    Electron Densities and Related Properties from the ab-initio Simulation of Crystalline Solids

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    Book Chapter

    Pages 133-163

    Modeling and Analysing Thermal Motion in Experimental Charge Density Studies

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    Book Chapter

    Pages 165-180

    Spin and the Complementary Worlds of Electron Position and Momentum Densities

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    Book Chapter

    Pages 181-211

    Past, Present and Future of Charge Density and Density Matrix Refinements

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    Book Chapter

    Pages 213-257

    Using Wavefunctions to Get More Information Out of Diffraction Experiments

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    Book Chapter

    Pages 259-275

    Local Models for Joint Position and Momentum Density Studies

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    Book Chapter

    Pages 277-302

    Magnetization Densities in Material Science

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    Book Chapter

    Pages 303-358

    Beyond Standard Charge Density Topological Analyses

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    Book Chapter

    Pages 359-385

    On the Interplay Between Real and Reciprocal Space Properties

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    Book Chapter

    Pages 387-433

    Intermolecular Interaction Energies from Experimental Charge Density Studies

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    Book Chapter

    Pages 435-467

    Chemical Information from Charge Density Studies

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    Book Chapter

    Pages 469-504

    Charge Density in Materials and Energy Science

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    Book Chapter

    Pages 505-526

    A Generic Force Field Based on Quantum Chemical Topology

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    Book Chapter

    Pages 527-552

    Frontier Applications of Experimental Charge Density and Electrostatics to Bio-macromolecules

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    Book Chapter

    Pages 553-572

    Charge Densities and Crystal Engineering

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    Book Chapter

    Pages 573-623

    Electron Density Topology of Crystalline Solids at High Pressure

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    Book Chapter

    Pages 625-658

    Bonding Changes Along Solid-Solid Phase Transitions Using the Electron Localization Function Approach

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    Book Chapter

    Pages 659-696

    Multi-temperature Electron Density Studies

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    Book Chapter

    Pages 697-714

    Transient Charge Density Maps from Femtosecond X-Ray Diffraction

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