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Investigation Of Structural Distortions In Some Transition Metal Compounds In Terms Of Electronic Structure Calculations
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Book Synopsis Investigation of Structural Distortions in Some Transition-metal Compounds in Terms of Electronic Structure Calculations by : Nayanee Gupta
Download or read book Investigation of Structural Distortions in Some Transition-metal Compounds in Terms of Electronic Structure Calculations written by Nayanee Gupta and published by . This book was released on 1996 with total page 214 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Electronic Structure and Properties of Transition Metal Compounds by : Isaac B. Bersuker
Download or read book Electronic Structure and Properties of Transition Metal Compounds written by Isaac B. Bersuker and published by Wiley-Interscience. This book was released on 1996-03-28 with total page 698 pages. Available in PDF, EPUB and Kindle. Book excerpt: Covering all the latest developments, and applying the theory of electronic structure to problem solving at every opportunity, Electronic Structure and Properties of Transition Metal Compounds places the reader at the cutting edge of this important field of research. The book focuses on the electronic structure and related properties of coordination compounds, essentially treating chemical bonding as an electronic phenomenon. It also covers the central concepts of quantum chemistry and atomic states, examines theories of electronic structure and vibronic coupling, and explores physical methods of investigation. The applications of the theory to stereochemistry and crystal chemistry, electron transfer and electron-conformational effects, and reactivity and catalytic action are also discussed.
Book Synopsis Structural Phase Transitions in Layered Transition Metal Compounds by : K. Motizuki
Download or read book Structural Phase Transitions in Layered Transition Metal Compounds written by K. Motizuki and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 309 pages. Available in PDF, EPUB and Kindle. Book excerpt: The structural phase transition is one of the most fundamental problems in solid state physics. Layered transition-metal dichalcogenides provide us with a most exciting area for the study of structural phase transitions that are associated with the charge density wave (CDW). A large variety of structural phase transitions, such as commensurate and incommensurate transitions, and the physical proper ties related to the formation of a CDW, have been an object of intense study made for many years by methods employing modem microscopic techniques. Rather recently, efforts have been devoted to the theoretical understanding of these experimental results. Thus, McMillan, for example, has developed an elegant phenomenological theory on the basis of the Landau free energy expansion. An extension of McMillan's theory has provided a successful understanding of the successive phase transitions observed in the IT- and 2H-compounds. In addition, a microscopic theory of lattice instability, lattice dynamics, and lattice distortion in the CDW state of the transition-metal dichalcogenides has been developed based on their electronic structures. As a result, the driving force of the CDW formation in the IT- and 2H-compounds has become clear. Furthermore, the effect of lattice fluctuations on the CDW transition and on the anomalous behavior of various physical properties has been made clear microscopically.
Book Synopsis Transition Metals in Coordination Environments by : Ewa Broclawik
Download or read book Transition Metals in Coordination Environments written by Ewa Broclawik and published by Springer. This book was released on 2019-03-16 with total page 532 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book focuses on the electronic properties of transition metals in coordination environments. These properties are responsible for the unique and intricate activity of transition metal sites in bio- and inorganic catalysis, but also pose challenges for both theoretical and experimental studies. Written by an international group of recognized experts, the book reviews recent advances in computational modeling and discusses their interplay using experiments. It covers a broad range of topics, including advanced computational methods for transition metal systems; spectroscopic, electrochemical and catalytic properties of transition metals in coordination environments; metalloenzymes and biomimetic compounds; and spin-related phenomena. As such, the book offers an invaluable resource for all researchers and postgraduate students interested in both fundamental and application-oriented research in the field of transition metal systems.
Book Synopsis A Theoretical Study of the Electronic Structure of Transition-metal Complexes by : James W. Richardson
Download or read book A Theoretical Study of the Electronic Structure of Transition-metal Complexes written by James W. Richardson and published by . This book was released on 1956 with total page 128 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author :David Michael P. Mingos Publisher :Springer Science & Business Media ISBN 13 :3642273696 Total Pages :227 pages Book Rating :4.6/5 (422 download)
Book Synopsis Molecular Electronic Structures of Transition Metal Complexes I by : David Michael P. Mingos
Download or read book Molecular Electronic Structures of Transition Metal Complexes I written by David Michael P. Mingos and published by Springer Science & Business Media. This book was released on 2012-01-13 with total page 227 pages. Available in PDF, EPUB and Kindle. Book excerpt: J.P. Dahl: Carl Johan Ballhausen (1926–2010).- J.R. Winkler and H.B. Gray: Electronic Structures of Oxo-Metal Ions.- C.D. Flint: Early Days in Kemisk Laboratorium IV and Later Studies.- J.H. Palmer: Transition Metal Corrole Coordination Chemistry. A Review Focusing on Electronic Structural Studies.- W.C. Trogler: Chemical Sensing with Semiconducting Metal Phthalocyanines.- K.M. Lancaster: Biological Outer-Sphere Coordination.- R.K. Hocking and E.I. Solomon: Ligand Field and Molecular Orbital Theories of Transition Metal X-ray Absorption Edge Transitions.- K.B. Møller and N.E. Henriksen: Time-resolved X-ray diffraction: The dynamics of the chemical bond.
Author :David Michael P. Mingos Publisher :Springer Science & Business Media ISBN 13 :3642273777 Total Pages :247 pages Book Rating :4.6/5 (422 download)
Book Synopsis Molecular Electronic Structures of Transition Metal Complexes II by : David Michael P. Mingos
Download or read book Molecular Electronic Structures of Transition Metal Complexes II written by David Michael P. Mingos and published by Springer Science & Business Media. This book was released on 2012-01-11 with total page 247 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book reviews current and future trends in modern chemical research, focusing on chemical structure and bonding. Covers development of electronic structure theories for transition metal complexes, orbital models and electronic structure theory and more.
Book Synopsis Electronic Structure, Correlation Effects and Physical Properties of D- and F-metals and Their Compounds by : Valentin Yu Irkhin
Download or read book Electronic Structure, Correlation Effects and Physical Properties of D- and F-metals and Their Compounds written by Valentin Yu Irkhin and published by Cambridge Int Science Publishing. This book was released on 2007 with total page 464 pages. Available in PDF, EPUB and Kindle. Book excerpt: The book includes all main physical properties of d- and f-transition-metal systems and corresponding theoretical concepts. Special attention is paid to the theory of magnetism and transport phenomena. Some examples of non-traditional questions which are treated in detail in the book: the influence of density of states singularities on electron properties; many-electron description of strong itinerant magnetism; mechanisms of magnetic anisotropy; microscopic theory of anomalous transport phenomena in ferromagnets. Besides considering classical problems of solid state physics as applied to transition metals, modern developments in the theory of correlation effects in d- and f-compounds are considered within many-electron models. The book contains, where possible, a simple physical discussion. More difficult questions are considered in Appendices.
Book Synopsis Rare-earth Transition-metal Intermetallics by : M. K. Han
Download or read book Rare-earth Transition-metal Intermetallics written by M. K. Han and published by . This book was released on 2006 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt: The explorations of rare-earth, transition metal intermetallics have resulted in the synthesis and characterization, and electronic structure investigation, as well as understanding the structure-bonding property relationships. The work has presented the following results: (1) Understanding the relationship between compositions and properties in LaFe{sub 13-x}Si{sub x} system: A detailed structural and theoretical investigation provided the understanding of the role of a third element on stabilizing the structure and controlling the transformation of cubic NaZn{sub 13}-type structures to the tetragonal derivative, as well as the relationship between the structures and properties. (2) Synthesis of new ternary rare-earth iron silicides Re{sub 2-x}Fe{sub 4}Si{sub 14-y} and proposed superstructure: This compound offers complex structural challenges such as fractional occupancies and their ordering in superstructure. (3) Electronic structure calculation of FeSi{sub 2}: This shows that the metal-semiconductor phase transition depends on the structure. The mechanism of band gap opening is described in terms of bonding and structural distortion. This result shows that the electronic structure calculations are an essential tool for understanding the relationship between structure and chemical bonding in these compounds. (4) Synthesis of new ternary rare-earth Zinc aluminides Tb{sub 3}Zn{sub 3.6}Al{sub 7.4}: Partially ordered structure of Tb{sub 3}Zn{sub 3.6}Al{sub 7.4} compound provides new insights into the formation, composition and structure of rare-earth transition-metal intermetallics. Electronic structure calculations attribute the observed composition to optimizing metal-metal bonding in the electronegative (Zn, Al) framework, while the specific ordering is strongly influenced by specific orbital interactions. (5) Synthesis of new structure type of Zn{sub 39}(Cr{sub x}Al{sub 1-x}){sub 81}: These layered structures are similar to icosahedral Mn-Al quasicrystalline compounds. Therefore, this compound may provide new insights into the formation, composition and structure of quasicrystalline materials.
Book Synopsis Electronic Structure and Properties of Transition Metal Compounds by : Isaac B. Bersuker
Download or read book Electronic Structure and Properties of Transition Metal Compounds written by Isaac B. Bersuker and published by Wiley. This book was released on 2025-04-08 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book covers the theory underlying the electronic structure and properties of transition metal compounds, including physical methods of their investigation. The new edition has been thoroughly updated and incorporates many new developments and methods in the field. The content of the third edition has gone through significant changes with the entire book modified and updated to take into account the developments in the field since the last edition published, as well as based on the readers experience with the use of the book. The most significant changes are due to Chapters 5, 7, and 11. Chapter 5 has been thoroughly rewritten to take into account the fast developing methods of ab initio calculations of electronic structure of coordination compounds. Similarly, chapter 7 includes the latest developments in application of vibronic coupling and the Jahn-Teller and pseudo Jahn-Teller effects to solve coordination chemistry problems. In chapter 11, the more up-to-date views on reactivity, chemical activation, and catalysis are discussed, including the role of the pseudo Jahn-Teller effect. Additionally the questions, exercises, and problems to each chapter of the book have been reviewed and extended, and more problem solving examples are included. Similarly, additional illustrations, graphic presentations, and references have been added.
Book Synopsis Rare-earth Transition-metal Intermetallics by :
Download or read book Rare-earth Transition-metal Intermetallics written by and published by . This book was released on 2006 with total page 233 pages. Available in PDF, EPUB and Kindle. Book excerpt: The explorations of rare-earth, transition metal intermetallics have resulted in the synthesis and characterization, and electronic structure investigation, as well as understanding the structure-bonding property relationships. The work has presented the following results: (1) Understanding the relationship between compositions and properties in LaFe13-xSix system: A detailed structural and theoretical investigation provided the understanding of the role of a third element on stabilizing the structure and controlling the transformation of cubic NaZn13-type structures to the tetragonal derivative, as well as the relationship between the structures and properties. (2) Synthesis of new ternary rare-earth iron silicides Re2-xFe4Si14-y and proposed superstructure: This compound offers complex structural challenges such as fractional occupancies and their ordering in superstructure. (3) Electronic structure calculation of FeSi2: This shows that the metal-semiconductor phase transition depends on the structure. The mechanism of band gap opening is described in terms of bonding and structural distortion. This result shows that the electronic structure calculations are an essential tool for understanding the relationship between structure and chemical bonding in these compounds. (4) Synthesis of new ternary rare-earth Zinc aluminides Tb3Zn3.6Al7.4: Partially ordered structure of Tb3Zn3.6Al7.4 compound provides new insights into the formation, composition and structure of rare-earth transition-metal intermetallics. Electronic structure calculations attribute the observed composition to optimizing metal-metal bonding in the electronegative (Zn, Al) framework, while the specific ordering is strongly influenced by specific orbital interactions. (5) Synthesis of new structure type of Zn39(CrxAl1-x)81: These layered structures are similar to icosahedral Mn-Al quasicrystalline compounds. Therefore, this compound may provide new insights into the formation, composition and structure of quasicrystalline materials.
Book Synopsis Electronic Structure Studies of Materials Properties and Stability in Transition Metal-metalloid Compounds by : Gus Lewis Warren Hart
Download or read book Electronic Structure Studies of Materials Properties and Stability in Transition Metal-metalloid Compounds written by Gus Lewis Warren Hart and published by . This book was released on 1999 with total page 248 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis On the Electronic Structure of Some Transition-metal Compounds by : Robert Aart de Groot
Download or read book On the Electronic Structure of Some Transition-metal Compounds written by Robert Aart de Groot and published by . This book was released on 1976 with total page 128 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Structural Phase Transitions in Layered Transition Metal Compounds by : K Motizuki
Download or read book Structural Phase Transitions in Layered Transition Metal Compounds written by K Motizuki and published by . This book was released on 1986-10-31 with total page 316 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Investigation of the Electronic Structure of Transition Metal Compounds by Photoelectron Spectroscopy with Variable Photon Energy by : Nikolas Kaltsoyannis
Download or read book Investigation of the Electronic Structure of Transition Metal Compounds by Photoelectron Spectroscopy with Variable Photon Energy written by Nikolas Kaltsoyannis and published by . This book was released on 1992 with total page 514 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Electronic Structure Calculations on Bulk and Surfaces of Some Transition-metal and F-electron Compounds by :
Download or read book Electronic Structure Calculations on Bulk and Surfaces of Some Transition-metal and F-electron Compounds written by and published by . This book was released on 2015 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Theoretical Studies of the Electronic Structure and Bonding in Some Transition Metal Complexes of Vanadium, Chromium, Iron, Nickel and Palladium by : Douglas Jay Gordon
Download or read book Theoretical Studies of the Electronic Structure and Bonding in Some Transition Metal Complexes of Vanadium, Chromium, Iron, Nickel and Palladium written by Douglas Jay Gordon and published by . This book was released on 1981 with total page 404 pages. Available in PDF, EPUB and Kindle. Book excerpt:
