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Author: Stepan S. Batsanov
Publisher: Springer Science & Business Media
ISBN: 9400747713
Category : Medical
Languages : en
Pages : 548
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Book Description
A concise description of models and quantitative parameters in structural chemistry and their interrelations, with 280 tables and >3000 references giving the most up-to-date experimental data on energy characteristics of atoms, molecules and crystals (ionisation potentials, electron affinities, bond energies, heats of phase transitions, band and lattice energies), optical properties (refractive index, polarisability), spectroscopic characteristics and geometrical parameters (bond distances and angles, coordination numbers) of substances in gaseous, liquid and solid states, in glasses and melts, for various thermodynamic conditions. Systems of metallic, covalent, ionic and van der Waals radii, effective atomic charges and other empirical and semi-empirical models are critically revised. Special attention is given to new and growing areas: structural studies of solids under high pressures and van der Waals molecules in gases. The book is addressed to researchers, academics, postgraduates and advanced-course students in crystallography, materials science, physical chemistry of solids.
Author: Stepan S. Batsanov
Publisher: Springer Science & Business Media
ISBN: 9400747713
Category : Medical
Languages : en
Pages : 548
Get Book
Book Description
A concise description of models and quantitative parameters in structural chemistry and their interrelations, with 280 tables and >3000 references giving the most up-to-date experimental data on energy characteristics of atoms, molecules and crystals (ionisation potentials, electron affinities, bond energies, heats of phase transitions, band and lattice energies), optical properties (refractive index, polarisability), spectroscopic characteristics and geometrical parameters (bond distances and angles, coordination numbers) of substances in gaseous, liquid and solid states, in glasses and melts, for various thermodynamic conditions. Systems of metallic, covalent, ionic and van der Waals radii, effective atomic charges and other empirical and semi-empirical models are critically revised. Special attention is given to new and growing areas: structural studies of solids under high pressures and van der Waals molecules in gases. The book is addressed to researchers, academics, postgraduates and advanced-course students in crystallography, materials science, physical chemistry of solids.
Author: F. Liebau
Publisher: Springer Science & Business Media
ISBN: 3642500765
Category : Science
Languages : en
Pages : 484
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Book Description
As natural minerals, silica and silicates constitute by far the largest part of the earth's crust and mantle. They are equally important as raw materials and as mass produced items. For this reason they have been the subject of scientific research by geoscientists as well as by applied scientists in cement, ceramic, glass, and other industries. Moreover, intensive fun damental research on silicates has been carried out for many years because silicates are, due to their enormous variability, ideally suited for the study of general chemical and crystallographic principles. Several excellent books on mineralogy and cement, ceramics, glass, etc. give brief, usually descriptive synopses of the structure of silicates, but do not contain detailed discussions of their structural chemistry. A number of monographs on special groups of silicates, such as the micas and clay min erals, amphiboles, feldspars, and zeolites have been published which con tain more crystal chemical information. However, no modern text has been published which is devoted to the structural chemistry of silicates as a whole. Within the last 2 decades experimental and theoretical methods have been so much improved to the extent that not only have a large number of silicate structures been accurately determined, but also a better under standing has been obtained of the correlation between the chemical composition of a silicate and its structure. Therefore, the time has been reached when a modern review of the structural chemistry of silicates has become necessary.
Author: K.J. Rao
Publisher: Elsevier
ISBN: 0080518036
Category : Science
Languages : en
Pages : 585
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Book Description
Structural Chemistry of Glasses provides detailed coverage of the subject for students and professionals involved in the physical chemistry aspects of glass research. Starting with the historical background and importance of glasses, it follows on with methods of preparation, structural and bonding theories, and criteria for glass formation including new approaches such as the constraint model. Glass transition is considered, as well as the wide range of theoretical approaches that are used to understand this phenomenon. The author provides a detailed discussion of Boson peaks, FSDP, Polymorphism, fragility, structural techniques, and theoretical modelling methods such as Monte Carlo and Molecular Dynamics simulation. The book covers ion and electron transport in glasses, mixed-alkali effect, fast ion conduction, power law and scaling behaviour, electron localization, charged defects, photo-structural effects, elastic properties, pressure-induced transitions, switching behaviour, colour, and optical properties of glasses. Special features of a variety of oxide, chalcogenide, halide, oxy-nitride and metallic gasses are discussed. With over 140 sections, this book captures most of the important and topical aspects of glass science, and will be useful for both newcomers to the subject and the experienced practitioner.
Author: F. Hulliger
Publisher: Springer Science & Business Media
ISBN: 9789027707147
Category : Gardening
Languages : en
Pages : 410
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Book Description
This monograph is intended to give the reader an appreciation of the wealth of phases, elements and inorganic compounds, which crystallize in layer-type or two dimensional structures. Originally this work was planned as a short review article but the large number of phases made it grow out to the size of a book. As is evident from the arrangement of the chapters our point of view was gradually transmuting from geometric to chemical. Moreover, the decision about the compounds that should be discussed was taken only during the course of the work, as is partly evident from the sequence of the references. For chemical or geometrical reason we have included also certain layered chain and molecular structures as well as some layered structures whose layers are linked by hydrogen bonds, thus are in fact three-dimensional. Instead of writing only a review with pseudo-scientific interpretations that later turn out to be wrong anyway we thought it more profitable to include the crystallographic data which are scattered in various original articles and hand books but never in one single volume. We have transcribed many of the data in order to make them correspond with the standard settings of the International Tables for X-Ray Crystallography. The figures are consistent with the data given in the tables. We apologize for errors and hope that their number is at a reasonably low level in spite of the time pressure.
Author: Sergey Krivovichev
Publisher: Elsevier
ISBN: 9780080467917
Category : Science
Languages : en
Pages : 504
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Book Description
Structural Chemistry of Inorganic Actinide Compounds is a collection of 13 reviews on structural and coordination chemistry of actinide compounds. Within the last decade, these compounds have attracted considerable attention because of their importance for radioactive waste management, catalysis, ion-exchange and absorption applications, etc. Synthetic and natural actinide compounds are also of great environmental concern as they form as a result of alteration of spent nuclear fuel and radioactive waste under Earth surface conditions, during burn-up of nuclear fuel in reactors, represent oxidation products of uranium miles and mine tailings, etc. The actinide compounds are also of considerable interest to material scientists due to the unique electronic properties of actinides that give rise to interesting physical properties controlled by the structural architecture of respective compounds. The book provides both general overview and review of recent developments in the field, including such emergent topics as nanomaterials and nanoparticles and their relevance to the transfer of actinides under environmental conditions. * Covers over 2,000 actinide compounds including materials, minerals and coordination polymers * Summarizes recent achievements in the field * Some chapters reveal (secret) advances made by the Soviet Union during the 'Cold war'
Author: Mihai V. Putz
Publisher: Springer
ISBN: 3319558757
Category : Science
Languages : en
Pages : 802
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Book Description
This book explains key concepts in theoretical chemistry and explores practical applications in structural chemistry. For experimentalists, it highlights concepts that explain the underlying mechanisms of observed phenomena, and at the same time provides theoreticians with explanations of the principles and techniques that are important in property design. Themes covered include conceptual and applied wave functions and density functional theory (DFT) methods, electronegativity and hard and soft (Lewis) acid and base (HSAB) concepts, hybridization and aromaticity, molecular magnetism, spin transition and thermochromism. Offering insights into designing new properties in advanced functional materials, it is a valuable resource for undergraduates of physical chemistry, cluster chemistry and structure/reactivity courses as well as graduates and researchers in the fields of physical chemistry, chemical modeling and functional materials.
Author: D. W. H. Rankin
Publisher: John Wiley & Sons
ISBN: 1118462882
Category : Science
Languages : en
Pages : 606
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Book Description
Determining the structure of molecules is a fundamental skill that all chemists must learn. Structural Methods in Molecular Inorganic Chemistry is designed to help readers interpret experimental data, understand the material published in modern journals of inorganic chemistry, and make decisions about what techniques will be the most useful in solving particular structural problems. Following a general introduction to the tools and concepts in structural chemistry, the following topics are covered in detail: • computational chemistry • nuclear magnetic resonance spectroscopy • electron paramagnetic resonance spectroscopy • Mössbauer spectroscopy • rotational spectra and rotational structure • vibrational spectroscopy • electronic characterization techniques • diffraction methods • mass spectrometry The final chapter presents a series of case histories, illustrating how chemists have applied a broad range of structural techniques to interpret and understand chemical systems. Throughout the textbook a strong connection is made between theoretical topics and the real world of practicing chemists. Each chapter concludes with problems and discussion questions, and a supporting website contains additional advanced material. Structural Methods in Molecular Inorganic Chemistry is an extensive update and sequel to the successful textbook Structural Methods in Inorganic Chemistry by Ebsworth, Rankin and Cradock. It is essential reading for all advanced students of chemistry, and a handy reference source for the professional chemist.
Author: Wai-Kee Li
Publisher: Oxford University Press
ISBN: 0199216940
Category : Science
Languages : en
Pages : 842
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Book Description
A revised and updated English edition of a textbook based on teaching at the final year undergraduate and graduate level. It presents structure and bonding, generalizations of structural trends, crystallographic data, as well as highlights from the recent literature.
Author: Milan Randic
Publisher: CRC Press
ISBN: 1498711529
Category : Mathematics
Languages : en
Pages : 472
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Book Description
Solved and Unsolved Problems of Structural Chemistry introduces new methods and approaches for solving problems related to molecular structure. It includes numerous subjects such as aromaticity—one of the central themes of chemistry—and topics from bioinformatics such as graphical and numerical characterization of DNA, proteins, and proteomes. It also outlines the construction of novel tools using techniques from discrete mathematics, particularly graph theory, which allowed problems to be solved that many had considered unsolvable. The book discusses a number of important problems in chemistry that have not been fully understood or fully appreciated, such as the notion of aromaticity and conjugated circuits, the generalized Hückel 4n + 2 Rule, and the nature of quantitative structure–property–activity relationships (QSARs), which have resulted in only partially solved problems and approximated solutions that are inadequate. It also describes advantages of mathematical descriptors in QSAR, including their use in screening combinatorial libraries to search for structures with high similarity to the target compounds. Selected problems that this book addresses include: Multiple regression analysis (MRA) Insufficient use of partial ordering in chemistry The role of Kekulé valence structures The problem of protein and DNA alignment Solved and Unsolved Problems of Structural Chemistry collects results that were once scattered in scientific literature into a thoughtful and compact volume. It sheds light on numerous problems in chemistry, including ones that appeared to have been solved but were actually only partially solved. Most importantly, it shows more complete solutions as well as methods and approaches that can lead to actualization of further solutions to problems in chemistry.
Author: Alexander Frank Wells
Publisher: Oxford University Press, USA
ISBN: 0199657637
Category : Science
Languages : en
Pages : 1424
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Book Description
The fifth edition of this widely acclaimed work has been reissued as part of the Oxford Classic Texts series. The book includes a clear exposition of general topics concerning the structures of solids, and a systematic description of the structural chemistry of elements and their compounds. The book is divided into two parts. Part I deals with a number of general topics, including the properties of polyhedra, the nature and symmetry of repeating patterns, and the ways in which spheres, of the same or different sizes, can be packed together. In Part II the structural chemistry of the elements is described systematically, arranged according to the groups of the Periodic Table.
