Introduction to Symmetry and Group Theory for Chemists, Lesk Arthur M.
Автор: Carter, Robert L. Название: Molecular symmetry and group theory ISBN: 0471149551 ISBN-13(EAN): 9780471149552 Издательство: Wiley Рейтинг: Цена: 18966 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Описание: Written to give an understandable introduction to molecular symmetry and group theory as applied to chemistry, this book should help readers intimidated by the subject.
Описание: Density functional theory (DFT) has become a major technique in quantum chemical calculations. In particular, its very good "price/performance" ratio has attracted a lot of attention to DFT. There is now an ever growing number of DFT applications in the computational chemistry literature.
Описание: This substantially revised and expanded new edition of the bestselling textbook, addresses the difficulties that can arise with the mathematics that underpins the study of symmetry, and acknowledges that group theory can be a complex concept for students to grasp. Written in a clear, concise manner, the author introduces a series of programmes that help students learn at their own pace and enable to them understand the subject fully. Readers are taken through a series of carefully constructed exercises, designed to simplify the mathematics and give them a full understanding of how this relates to the chemistry. This second edition contains a new chapter on the projection operator method. This is used to calculate the form of the normal modes of vibration of a molecule and the normalised wave functions of hybrid orbitals or molecular orbitals. The features of this book include:
Автор: K C Molloy Название: Group Theory for Chemists, ISBN: 0857092405 ISBN-13(EAN): 9780857092403 Издательство: Elsevier Science Рейтинг: Цена: 3698 р. 4109.00-10% Наличие на складе: Есть у поставщика Поставка под заказ.
Описание: The basics of group theory and its applications to themes such as the analysis of vibrational spectra and molecular orbital theory are essential knowledge for the undergraduate student of inorganic chemistry. The second edition of Group Theory for Chemists uses diagrams and problem-solving to help students test and improve their understanding, including a new section on the application of group theory to electronic spectroscopy.Part one covers the essentials of symmetry and group theory, including symmetry, point groups and representations. Part two deals with the application of group theory to vibrational spectroscopy, with chapters covering topics such as reducible representations and techniques of vibrational spectroscopy. In part three, group theory as applied to structure and bonding is considered, with chapters on the fundamentals of molecular orbital theory, octahedral complexes and ferrocene among other topics. Additionally in the second edition, part four focuses on the application of group theory to electronic spectroscopy, covering symmetry and selection rules, terms and configurations and d-d spectra.Drawing on the author’s extensive experience teaching group theory to undergraduates, Group Theory for Chemists provides a focused and comprehensive study of group theory and its applications which is invaluable to the student of chemistry as well as those in related fields seeking an introduction to the topic.
Автор: Shaik Название: A Chemist`s Guide to Valence Bond Theory ISBN: 0470037350 ISBN-13(EAN): 9780470037355 Издательство: Wiley Рейтинг: Цена: 11495 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Описание: This book is designed to teach chemists how to use VB theory to think concisely and rigorously and how to use VB computations. It is intended for chemists who are not necessarily experts on theory, but have some background in quantum chemistry. It will familiarize the reader with the various VB-based computational tools and methods available today and their use for a given chemical problem. It will provide samples of inputs/outputs and instruct the reader on how to interpret the results. Applications discussed in the book include bonding problems, organic reactions, inorganic/organometallic reactions, and bioinorganic/biochemical reactions.
Автор: Bradley, Christopher; Cracknell, Arthur Название: The Mathematical Theory of Symmetry in Solids ISBN: 0199582580 ISBN-13(EAN): 9780199582587 Издательство: Oxford Academ Рейтинг: Цена: 6557 р. Наличие на складе: Невозможна поставка.
Описание: This classic book gives, in extensive tables, the irreducible representations of the crystallographic point groups and space groups. These are useful in studying the eigenvalues and eigenfunctions of a particle or quasi-particle in a crystalline solid. The theory is extended to the corepresentations of the Shubnikov groups.
Описание: The International Tables for Crystallography are jointly published with the International Union of Crystallography. Each print volume can be purchased individually. In addition the complete set of Vol A-G is available both in print and online (see right hand column).Volume A treats crystallographic symmetry in direct or physical space.The first five parts of the volume contain introductory material: lists of symbols and terms; a guide to the use of the space-group tables; the determination of space groups; synoptic tables of space-group symbols; and unit-cell (coordinate) transformations. These are followed by the plane-group and space-group tables.The rest of the volume is at a much higher theoretical level than Parts 1 to 5; it has many features of an advanced textbook of crystallography. Parts 8 to 15 deal with the following aspects of symmetry theory: the mathematical approach to space groups; crystal lattices; point groups and crystal classes; symbols for symmetry operations; symbols for space groups; isomorphic subgroups of space groups; lattice complexes; and normalizers of space groups.Volume A is designed not only for professional crystallographers, but also for chemists, physicists, mineralogists, biologists and material scientists who employ crystallographic methods and who are concerned with the structure and the properties of crystalline materials.The fifth edition of Volume A has been reviewed by P. Paufler [Acta Cryst. (2004). A60, 641-642]. The first edition was reviewed by K. M. Stadnicka, B. J. Oleksyn and K. Z. Sokalski [Acta Cryst. (1987). A43, 156-159].International Tables for personal use can be purchased at a discount. Contact Customer Service for further information and to place an order.
Автор: Yngve Ohrn Название: Elements of Molecular Symmetry ISBN: 0471363235 ISBN-13(EAN): 9780471363231 Издательство: Wiley Рейтинг: Цена: 14839 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Описание: A unique, much-needed introduction to molecular symmetry and group theory Elements of Molecular Symmetry takes the topic of group theory a step further than most books, presenting a quantum chemistry treatment useful for computational, quantu physical, and inorganic chemists alike. Clearly explaining how general groups and group algebra describe molecules, Yngve Ohrn first develops the theory, then provides coverage not only for point groups, but also permutation groups, space groups, and Lie groups. With over three decades of teaching experience, Dr. Ohrn brings to the discussion unprecedented depth and clarity, incorporating rigorous topics at a level accessible to anyone with basic knowledge of calculus and algebra. This unique and timely book: Extends coverage to molecular orbital theory, Utilizes powerful examples to illustrate basic concepts Contains introductory material on space groups and continuous groups, including point-group character tables Provides a solid background for exploring the theoretical literature
Описание: Using examples from engineering and other disciplines, Newnham (solid state science, Pennsylvania State U.) describes the physics and chemistry of crystals for science and engineering students at the undergraduate level. He focuses on tensors, matrices, symmetry and the relationships between structure and property, including transformation, thermod
Автор: Bunker, P.R. Название: Fundamentals of Molecular Symmetry ISBN: 0750309415 ISBN-13(EAN): 9780750309417 Издательство: Taylor&Francis Рейтинг: Цена: 5955 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Описание: Molecular symmetry operations provide an easily applied tool for understanding and predicting molecular properties, including certain reaction dynamics and quantum mechanical descriptions of molecules. Traditionally the molecular approach has been taught through point group and rotational symmetries (Schonflies notation and group theory) to undergraduates and graduates in chemistry, physics and merial science and then these are applied to understanding various molecular properties. In this book the authors take a deeper and more rigorous approach to molecular symmetry, which leads to a greater insight into the application of symmetry in predicting and explaining the observational spectroscopic results and quantum mechanical applications, but also yields the simpler idealised symmetry operations for 'simple' molecules. This more in depth approach is needed by chemical physicists and physical chemists for detailed spectroscopic analysis of molecular materials (and has applications from characterising new compounds, understanding electronic structure and reaction dynamics to exploring the composition of interstellar gas) and quantum mechanical applications. This text provides a through grounding in molecular symmetry and group theory suitable for undergraduates and more detailed applications needed by graduate students and researchers in molecular physics, chemical physics, physical chemistry and solid state physics.
Описание: This is the first book to present both classical and quantum-chemical approaches to computational methods, incorporating the many new developments in this field from the last few years. Written especially for non-theoretical readers in a readily comprehensible and implemental style, it includes numerous practical examples of varying degrees of difficulty. Similarly, the use of mathematical equations is reduced to a minimum, focusing only on those important for experimentalists. Backed by many extensive tables containing detailed data for direct use in the calculations, this is the ideal companion for all those wishing to improve their work in solid state research.