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Electron Density and Bonding in Crystals

Author: V.G Tsirelson

Publisher: CRC Press

Published: 2020-11-26

Total Pages: 534

ISBN-13: 1000157164

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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.

Book Synopsis Electron Density and Bonding in Crystals by : V.G Tsirelson

Download or read book Electron Density and Bonding in Crystals written by V.G Tsirelson and published by CRC Press. This book was released on 2020-11-26 with total page 534 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.

Structure and Bonding in crystals

Author: Michael O'Keeffe

Publisher: Elsevier

Published: 2012-12-02

Total Pages: 346

ISBN-13: 0323141471

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Structure and Bonding in Crystals presents a new understanding of the older topics such as bond length, bond strength, and ionic radii. These concepts have been used by geochemists and geophysicists to systematize and predict phase transitions at high pressure. The final group of chapters deals with the problems of classifying complex solids and with systematic descriptions of the relationships between their structures. This book comprises 13 chapters, with the first presenting a historical perspective by Linus Pauling. The following chapters then go on to discuss quantum theory and crystal chemistry; pseudopotentials and crystal structure; quantum-defect orbital radii and the structural chemistry of simple solids; and a pseudopotential viewpoint of the electronic and structural properties of crystals. Other chapters cover elementary quantitative theory of chemical bonding; the role and significance of empirical and semiempirical correlations; theoretical probes of bonding in the disiloxy group; a comparison of experimental and theoretical bond length and angle variations; the role of nonbonded forces in crystals; molecules within infinite solids; charge density distributions; and some aspects of the ionic model of crystals. This book will be of interest to practitioners in the fields of chemistry, physics, and geology.

Book Synopsis Structure and Bonding in crystals by : Michael O'Keeffe

Download or read book Structure and Bonding in crystals written by Michael O'Keeffe and published by Elsevier. This book was released on 2012-12-02 with total page 346 pages. Available in PDF, EPUB and Kindle. Book excerpt: Structure and Bonding in Crystals presents a new understanding of the older topics such as bond length, bond strength, and ionic radii. These concepts have been used by geochemists and geophysicists to systematize and predict phase transitions at high pressure. The final group of chapters deals with the problems of classifying complex solids and with systematic descriptions of the relationships between their structures. This book comprises 13 chapters, with the first presenting a historical perspective by Linus Pauling. The following chapters then go on to discuss quantum theory and crystal chemistry; pseudopotentials and crystal structure; quantum-defect orbital radii and the structural chemistry of simple solids; and a pseudopotential viewpoint of the electronic and structural properties of crystals. Other chapters cover elementary quantitative theory of chemical bonding; the role and significance of empirical and semiempirical correlations; theoretical probes of bonding in the disiloxy group; a comparison of experimental and theoretical bond length and angle variations; the role of nonbonded forces in crystals; molecules within infinite solids; charge density distributions; and some aspects of the ionic model of crystals. This book will be of interest to practitioners in the fields of chemistry, physics, and geology.

Intermolecular Interactions in Crystals

Author: Juan Novoa

Publisher: Royal Society of Chemistry

Published: 2017-10-27

Total Pages: 782

ISBN-13: 1782621733

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This new book brings together the latest information on intermolecular bonding within molecular crystals, providing a very useful introductory text for graduates.

Book Synopsis Intermolecular Interactions in Crystals by : Juan Novoa

Download or read book Intermolecular Interactions in Crystals written by Juan Novoa and published by Royal Society of Chemistry. This book was released on 2017-10-27 with total page 782 pages. Available in PDF, EPUB and Kindle. Book excerpt: This new book brings together the latest information on intermolecular bonding within molecular crystals, providing a very useful introductory text for graduates.

Electron Distributions and the Chemical Bond

Author: Philip Coppens

Publisher: Springer Science & Business Media

Published: 2012-12-06

Total Pages: 471

ISBN-13: 1461334675

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This book represents the proceedings of a symposium held at the Spring 1981 ACS meeting in Atlanta. The symposium brought together Theoretical Chemists, Solid State Physicists, Experimen tal Chemists and Crystallographers. One of its major aims was to increase interaction between these diverse groups which often use very different languages to describe similar concepts. The devel opment of a common language, or at least the acquisition of a multilingual capability, is a necessity if the field is to prosper. Much depends in this field on the interplay between theory and experiment. Accordingly this volume begins with two introduc tory chapters, one theoretical and the other experimental, which contain much of the background material needed for a through under standing of the field. The remaining sections describe a wide variety of applications and illustrate, we believe, the central role of charge densities in the understanding of chemical bonding. We are most indebted to the Divisions of Inorganic and Phy sical Chemistry of the American Chemical Society, which provided the stimulus for the symposium and gave generous financial support. We also gratefully acknowledge financial support from the Special Educational Opportunities Program of the Petroleum Research Fund administered by the American Chemical Society, which made exten sive participation by speakers from abroad possible.

Book Synopsis Electron Distributions and the Chemical Bond by : Philip Coppens

Download or read book Electron Distributions and the Chemical Bond written by Philip Coppens and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 471 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book represents the proceedings of a symposium held at the Spring 1981 ACS meeting in Atlanta. The symposium brought together Theoretical Chemists, Solid State Physicists, Experimen tal Chemists and Crystallographers. One of its major aims was to increase interaction between these diverse groups which often use very different languages to describe similar concepts. The devel opment of a common language, or at least the acquisition of a multilingual capability, is a necessity if the field is to prosper. Much depends in this field on the interplay between theory and experiment. Accordingly this volume begins with two introduc tory chapters, one theoretical and the other experimental, which contain much of the background material needed for a through under standing of the field. The remaining sections describe a wide variety of applications and illustrate, we believe, the central role of charge densities in the understanding of chemical bonding. We are most indebted to the Divisions of Inorganic and Phy sical Chemistry of the American Chemical Society, which provided the stimulus for the symposium and gave generous financial support. We also gratefully acknowledge financial support from the Special Educational Opportunities Program of the Petroleum Research Fund administered by the American Chemical Society, which made exten sive participation by speakers from abroad possible.

Chemical Bonds in Solids

Author: Academician N. N. Sirota

Publisher: Springer Science & Business Media

Published: 2012-12-06

Total Pages: 173

ISBN-13: 1468486829

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The present four volumes, published under the collective title of "Chemical Bonds in Solids," are the translation of the two Russian books "Chemical Bonds in Crystals" and "Chemical Bonds in Semiconductors." These contain the papers presented at the Conference on Chemical Bonds held in Minsk between May 28 and June 3, 1967, together with a few other papers (denoted by an asterisk) which have been specially incorporated. Earlier collections (also published by the Nauka i Tekhnika Press of the Belorussian Academy of Sciences) were entitled "Chemical Bonds in Semiconductors and Solids" (1965) and "Chemical Bonds in Semiconductors and Thermody namics" (1966) and are available in English editions from Consultants Bureau, New York (pub lished in 1967 and 1968, respectively). The subject of chemical bonds in crystals, including semiconductors, has recently become highly topical and has attracted the interest of a wide circle of physicists, chemists, and engineers. Until recently, the most successful description of the properties of solids (including semi conductors) has been provided by the band theory, which still dominates the physics of solids. Nevertheless, it is clear that the most universal approach is that based on the general theory of chemical bonds in crystals, in which details of the electron distributions between atoms and of the wave functions appear quite explicitly.

Book Synopsis Chemical Bonds in Solids by : Academician N. N. Sirota

Download or read book Chemical Bonds in Solids written by Academician N. N. Sirota and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 173 pages. Available in PDF, EPUB and Kindle. Book excerpt: The present four volumes, published under the collective title of "Chemical Bonds in Solids," are the translation of the two Russian books "Chemical Bonds in Crystals" and "Chemical Bonds in Semiconductors." These contain the papers presented at the Conference on Chemical Bonds held in Minsk between May 28 and June 3, 1967, together with a few other papers (denoted by an asterisk) which have been specially incorporated. Earlier collections (also published by the Nauka i Tekhnika Press of the Belorussian Academy of Sciences) were entitled "Chemical Bonds in Semiconductors and Solids" (1965) and "Chemical Bonds in Semiconductors and Thermody namics" (1966) and are available in English editions from Consultants Bureau, New York (pub lished in 1967 and 1968, respectively). The subject of chemical bonds in crystals, including semiconductors, has recently become highly topical and has attracted the interest of a wide circle of physicists, chemists, and engineers. Until recently, the most successful description of the properties of solids (including semi conductors) has been provided by the band theory, which still dominates the physics of solids. Nevertheless, it is clear that the most universal approach is that based on the general theory of chemical bonds in crystals, in which details of the electron distributions between atoms and of the wave functions appear quite explicitly.

Electron Density and Chemical Bonding II

Author: Dietmar Stalke

Publisher: Springer

Published: 2012-06-05

Total Pages: 300

ISBN-13: 3642308082

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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.

Book Synopsis Electron Density and Chemical Bonding II by : Dietmar Stalke

Download or read book Electron Density and Chemical Bonding II written by Dietmar Stalke and published by Springer. This book was released on 2012-06-05 with total page 300 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.

Chemical Bonding in Crystals and Their Properties

Author: Anna V. Vologzhanina

Publisher: MDPI

Published: 2020-06-16

Total Pages: 144

ISBN-13: 3039361708

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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.

Book Synopsis Chemical Bonding in Crystals and Their Properties by : Anna V. Vologzhanina

Download or read book Chemical Bonding in Crystals and Their Properties written by Anna V. Vologzhanina and published by MDPI. This book was released on 2020-06-16 with total page 144 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.

Modern Charge-Density Analysis

Author: Carlo Gatti

Publisher: Springer Science & Business Media

Published: 2012-01-09

Total Pages: 800

ISBN-13: 9048138353

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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.

Book Synopsis Modern Charge-Density Analysis by : Carlo Gatti

Download or read book Modern Charge-Density Analysis written by Carlo Gatti and published by Springer Science & Business Media. This book was released on 2012-01-09 with total page 800 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.

Analysis of Hydrogen Bonds in Crystals

Author: Sławomir J. Grabowski

Publisher: MDPI

Published: 2018-09-27

Total Pages: 323

ISBN-13: 3038422452

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This book is a printed edition of the Special Issue "Analysis of Hydrogen Bonds in Crystals" that was published in Crystals

Book Synopsis Analysis of Hydrogen Bonds in Crystals by : Sławomir J. Grabowski

Download or read book Analysis of Hydrogen Bonds in Crystals written by Sławomir J. Grabowski and published by MDPI. This book was released on 2018-09-27 with total page 323 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book is a printed edition of the Special Issue "Analysis of Hydrogen Bonds in Crystals" that was published in Crystals

University Physics

Author: OpenStax

Publisher:

Published: 2016-11-04

Total Pages: 622

ISBN-13: 9781680920451

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University Physics is a three-volume collection that meets the scope and sequence requirements for two- and three-semester calculus-based physics courses. Volume 1 covers mechanics, sound, oscillations, and waves. Volume 2 covers thermodynamics, electricity and magnetism, and Volume 3 covers optics and modern physics. This textbook emphasizes connections between between theory and application, making physics concepts interesting and accessible to students while maintaining the mathematical rigor inherent in the subject. Frequent, strong examples focus on how to approach a problem, how to work with the equations, and how to check and generalize the result. The text and images in this textbook are grayscale.

Book Synopsis University Physics by : OpenStax

Download or read book University Physics written by OpenStax and published by . This book was released on 2016-11-04 with total page 622 pages. Available in PDF, EPUB and Kindle. Book excerpt: University Physics is a three-volume collection that meets the scope and sequence requirements for two- and three-semester calculus-based physics courses. Volume 1 covers mechanics, sound, oscillations, and waves. Volume 2 covers thermodynamics, electricity and magnetism, and Volume 3 covers optics and modern physics. This textbook emphasizes connections between between theory and application, making physics concepts interesting and accessible to students while maintaining the mathematical rigor inherent in the subject. Frequent, strong examples focus on how to approach a problem, how to work with the equations, and how to check and generalize the result. The text and images in this textbook are grayscale.