Electron Density And Bonding In Crystals
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Author | : V.G Tsirelson |
Publisher | : CRC Press |
Total Pages | : 529 |
Release | : 2020-11-25 |
Genre | : Science |
ISBN | : 1000112357 |
Electron Density and Bonding in Crystals: Principles, Theory and X-Ray Diffraction Experiments in Solid State Physics and Chemistry provides a comprehensive, unified account of the use of diffraction techniques to determine the distribution of electrons in crystals. The book discusses theoretical and practical techniques, the application of electron density studies to chemical bonding, and the determination of the physical properties of condensed matter. The book features the authors' own key contributions to the subject as well a thorough, critical summary of the extensive literature on electron density and bonding. Logically organized, coverage ranges from the theoretical and experimental basis of electron density determination to its impact on investigations of the nature of the chemical bond and its uses in determining electromagnetic and optical properties of crystals. The main text is supplemented by appendices that provide clear, concise guidance on aspects such as systems of units, quantum theory of atomic vibrations, atomic orbitals, and creation and annihilation operators. The result is a valuable compendium of modern knowledge on electron density distributions, making this reference a standard for crystallographers, condensed matter physicists, theoretical chemists, and materials scientists.
Author | : V.G Tsirelson |
Publisher | : CRC Press |
Total Pages | : 544 |
Release | : 1996-01-01 |
Genre | : Science |
ISBN | : 9780750302845 |
Electron Density and Bonding in Crystals: Principles, Theory and X-Ray Diffraction Experiments in Solid State Physics and Chemistry provides a comprehensive, unified account of the use of diffraction techniques to determine the distribution of electrons in crystals. The book discusses theoretical and practical techniques, the application of electron density studies to chemical bonding, and the determination of the physical properties of condensed matter. The book features the authors' own key contributions to the subject as well a thorough, critical summary of the extensive literature on electron density and bonding. Logically organized, coverage ranges from the theoretical and experimental basis of electron density determination to its impact on investigations of the nature of the chemical bond and its uses in determining electromagnetic and optical properties of crystals. The main text is supplemented by appendices that provide clear, concise guidance on aspects such as systems of units, quantum theory of atomic vibrations, atomic orbitals, and creation and annihilation operators. The result is a valuable compendium of modern knowledge on electron density distributions, making this reference a standard for crystallographers, condensed matter physicists, theoretical chemists, and materials scientists.
Author | : Dietmar Stalke |
Publisher | : Springer |
Total Pages | : 300 |
Release | : 2012-06-05 |
Genre | : Science |
ISBN | : 3642308082 |
T. Koritsanszky, A. Volkov, M. Chodkiewicz: New Directions in Pseudoatom-Based X-Ray Charge Density Analysis.- B. Dittrich, D. Jayatilaka: Reliable Measurements of Dipole Moments from Single-Crystal Diffraction Data and Assessment of an In-Crystal Enhancement.- B. Engels, Th. C. Schmidt, C. Gatti, T. Schirmeister, R.F. Fink: Challenging Problems in Charge Density Determination: Polar Bonds and Influence of the Environment.- S. Fux, M. Reiher: Electron Density in Quantum Theory.- K. Meindl, J.Henn: Residual Density Analysis.- C. Gatti: The Source Function Descriptor as a Tool to Extract Chemical Information from Theoretical and Experimental Electron Densities.
Author | : V.G Tsirelson |
Publisher | : CRC Press |
Total Pages | : 534 |
Release | : 2020-11-26 |
Genre | : Science |
ISBN | : 1000157164 |
Electron Density and Bonding in Crystals: Principles, Theory and X-Ray Diffraction Experiments in Solid State Physics and Chemistry provides a comprehensive, unified account of the use of diffraction techniques to determine the distribution of electrons in crystals. The book discusses theoretical and practical techniques, the application of electron density studies to chemical bonding, and the determination of the physical properties of condensed matter. The book features the authors' own key contributions to the subject as well a thorough, critical summary of the extensive literature on electron density and bonding. Logically organized, coverage ranges from the theoretical and experimental basis of electron density determination to its impact on investigations of the nature of the chemical bond and its uses in determining electromagnetic and optical properties of crystals. The main text is supplemented by appendices that provide clear, concise guidance on aspects such as systems of units, quantum theory of atomic vibrations, atomic orbitals, and creation and annihilation operators. The result is a valuable compendium of modern knowledge on electron density distributions, making this reference a standard for crystallographers, condensed matter physicists, theoretical chemists, and materials scientists.
Author | : Aaron N. Bloch |
Publisher | : |
Total Pages | : 356 |
Release | : 1981 |
Genre | : Science |
ISBN | : |
Structure and Bonding in crystals ...
Author | : Philip Coppens |
Publisher | : International Union of Crystallography |
Total Pages | : 373 |
Release | : 1997-05-08 |
Genre | : Science |
ISBN | : 0195356942 |
This 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. As a whole, this monograph is especially appealing because of its broad interface with numerous disciplines. Accurate X-ray diffraction intensities contain fundamental information on the charge distribution in crystals, which can be compared directly with theoretical results, and used to derive other physical properties, such as electrostatic moments, the electrostatic potential and lattice energies, which are accessible by spectroscopic and thermodynamic measurements. Consequently, the work will be of great interest to a broad range of crystallographers and physical scientists.
Author | : Anna V. Vologzhanina |
Publisher | : MDPI |
Total Pages | : 144 |
Release | : 2020-06-16 |
Genre | : Science |
ISBN | : 3039361708 |
Unravelling an intricate network of interatomic interactions and their relations to different behaviors of chemical compounds is key to the successful design of new materials for both existing and novel applications, from medicine to innovative concepts of molecular electronics and spintronics. X-ray crystallography has proven to be very helpful in addressing many important chemical problems in modern materials science and biosciences. Intertwined with computational techniques, it provides insights into the nature of chemical bonding and the physicochemical properties (including optical, magnetic, electrical, mechanical, and others) of crystalline materials, otherwise accessible by experimental techniques that are not so readily available to chemists. In addition to the advanced approaches in charge density analysis made possible by X-ray diffraction, the information collected over the years through this technique (which is easily mined from huge databases) has tremendous use in the design of new materials for medicine, gas storage, and separation applications as well as for electronic devices. This Special Issue contains two reviews and five articles that cover very different aspects of ‘composition–structure’ and ‘structure–property’ relations identified by X-ray diffraction and complementary techniques (from conventional IR and Raman spectroscopies to cutting-edge quantum chemical calculations) and their use in crystal engineering and materials science.
Author | : Carlo Gatti |
Publisher | : Springer Science & Business Media |
Total Pages | : 800 |
Release | : 2012-01-09 |
Genre | : Science |
ISBN | : 9048138353 |
Focusing on developments from the past 10-15 years, this volume presents an objective overview of the research in charge density analysis. The most promising methodologies are included, in addition to powerful interpretative tools and a survey of important areas of research.
Author | : Jian Min Zuo |
Publisher | : Springer |
Total Pages | : 741 |
Release | : 2016-10-26 |
Genre | : Technology & Engineering |
ISBN | : 1493966073 |
This volume expands and updates the coverage in the authors' popular 1992 book, Electron Microdiffraction. As the title implies, the focus of the book has changed from electron microdiffraction and convergent beam electron diffraction to all forms of advanced transmission electron microscopy. Special attention is given to electron diffraction and imaging, including high-resolution TEM and STEM imaging, and the application of these methods to crystals, their defects, and nanostructures. The authoritative text summarizes and develops most of the useful knowledge which has been gained over the years from the study of the multiple electron scattering problem, the recent development of aberration correctors and their applications to materials structure characterization, as well as the authors' extensive teaching experience in these areas. Advanced Transmission Electron Microscopy: Imaging and Diffraction in Nanoscience is ideal for use as an advanced undergraduate or graduate level text in support of course materials in Materials Science, Physics or Chemistry departments.
Author | : Carlo Gatti |
Publisher | : Springer Science & Business Media |
Total Pages | : 800 |
Release | : 2012-01-09 |
Genre | : Science |
ISBN | : 9048138361 |
Modern Charge-Density Analysis focuses on state-of-the-art methods and applications of electron-density analysis. It is a field traditionally associated with understanding chemical bonding and the electrostatic properties of matter. Recently, it has also been related to predictions of properties and responses of materials (having an organic, inorganic or hybrid nature as in modern materials and bio-science, and used for functional devices or biomaterials). Modern Charge-Density Analysis is inherently multidisciplinary and written for chemists, physicists, crystallographers, material scientists, and biochemists alike. It serves as a useful tool for scientists already working in the field by providing them with a unified view of the multifaceted charge-density world. Additionally, this volume facilitates the understanding of scientists and PhD students planning to enter the field by acquainting them with the most significant and promising developments in this arena.