Molecular Symmetry

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Molecular Symmetry

Author : David J. Willock
Publisher : John Wiley & Sons
Page : 441 pages
File Size : 46,9 Mb
Release : 2009-03-16
Category : Science
ISBN : 9780470853474

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Molecular Symmetry by David J. Willock Pdf

Symmetry and group theory provide us with a formal method for the description of the geometry of objects by describing the patterns in their structure. In chemistry it is a powerful method that underlies many apparently disparate phenomena. Symmetry allows us to accurately describe the types of bonding that can occur between atoms or groups of atoms in molecules. It also governs the transitions that may occur between energy levels in molecular systems, which in turn allows us to predict the absorption properties of molecules and hence their spectra. Molecular Symmetry lays out the formal language used in the area using illustrative examples of particular molecules throughout. It then applies the ideas of symmetry to describe molecular structure, bonding in molecules and consider the implications in spectroscopy. Topics covered include: Symmetry elements Symmetry operations and products of operations Point groups used with molecules Point group representations, matrices and basis sets Reducible and irreducible representations Applications in vibrational spectroscopy Symmetry in chemical bonding Molecular Symmetry is designed to introduce the subject by combining symmetry with spectroscopy in a clear and accessible manner. Each chapter ends with a summary of learning points, a selection of self-test questions, and suggestions for further reading. A set of appendices includes templates for paper models which will help students understand symmetry groups. Molecular Symmetry is a must-have introduction to this fundamental topic for students of chemistry, and will also find a place on the bookshelves of postgraduates and researchers looking for a broad and modern introduction to the subject.

Molecular Symmetry and Spectroscopy

Author : Philip Bunker
Publisher : Elsevier
Page : 441 pages
File Size : 54,5 Mb
Release : 2012-12-02
Category : Science
ISBN : 9780323150255

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Molecular Symmetry and Spectroscopy by Philip Bunker Pdf

Molecular Symmetry and Spectroscopy deals with the use of group theory in quantum mechanics in relation to problems in molecular spectroscopy. It discusses the use of the molecular symmetry group, whose elements consist of permutations of identical nuclei with or without inversion. After reviewing the permutation groups, inversion operation, point groups, and representation of groups, the book describes the use of representations for labeling molecular energy. The text explains an approximate time independent Schrödinger equation for a molecule, as well as the effect of a nuclear permutation or the inversion of E* on such equation. The book also examines the expression for the complete molecular Hamiltonian and the several groups of operations commuting with the Hamiltonian. The energy levels of the Hamiltonian can then be symmetrically labeled by the investigator using the irreducible representations of these groups. The text explains the two techniques to change coordinates in a Schrödinger equation, namely, (1) by using a diatomic molecule in the rovibronic Schrödinger equation, and (2) by a rigid nonlinear polyatomic molecule. The book also explains that using true symmetry, basis symmetry, near symmetry, and near quantum numbers, the investigator can label molecular energy levels. The text can benefit students of molecular spectroscopy, academicians, and investigators of molecular chemistry or quantum mechanics.

Fundamentals of Molecular Symmetry

Author : P.R. Bunker,P. Jensen
Publisher : CRC Press
Page : 244 pages
File Size : 41,9 Mb
Release : 2018-10-03
Category : Science
ISBN : 9781351989855

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Fundamentals of Molecular Symmetry by P.R. Bunker,P. Jensen Pdf

Winner of a 2005 CHOICE Outstanding Academic Book Award Molecular symmetry is an easily applied tool for understanding and predicting many of the properties of molecules. Traditionally, students are taught this subject using point groups derived from the equilibrium geometry of the molecule. Fundamentals of Molecular Symmetry shows how to set up symmetry groups for molecules using the more general idea of energy invariance. It is no more difficult than using molecular geometry and one obtains molecular symmetry groups. The book provides an introductory description of molecular spectroscopy and quantum mechanics as the foundation for understanding how molecular symmetry is defined and used. The approach taken gives a balanced account of using both point groups and molecular symmetry groups. Usually the point group is only useful for isolated, nonrotating molecules, executing small amplitude vibrations, with no tunneling, in isolated electronic states. However, for the chemical physicist or physical chemist who wishes to go beyond these limitations, the molecular symmetry group is almost always required.

Molecular Symmetry and Group Theory

Author : Robert L. Carter
Publisher : John Wiley & Sons
Page : 326 pages
File Size : 41,5 Mb
Release : 1997-12-16
Category : Science
ISBN : 9780471149552

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Molecular Symmetry and Group Theory by Robert L. Carter Pdf

A Thorough But Understandable Introduction To Molecular Symmetry And Group Theory As Applied To Chemical Problems! In a friendly, easy-to-understand style, this new book invites the reader to discover by example the power of symmetry arguments for understanding theoretical problems in chemistry. The author shows the evolution of ideas and demonstrates the centrality of symmetry and group theory to a complete understanding of the theory of structure and bonding. Plus, the book offers explicit demonstrations of the most effective techniques for applying group theory to chemical problems, including the tabular method of reducing representations and the use of group-subgroup relationships for dealing with infinite-order groups. Also Available From Wiley: * Concepts and Models of Inorganic Chemistry, 3/E, by Bodie E. Douglas, Darl H. McDaniel, and John J. Alexander 0-471-62978-2 * Basic Inorganic Chemistry, 3/E, by F. Albert Cotton, Paul Gaus, and Geoffrey Wilkinson 0-471-50532-3

Molecular Symmetry and Group Theory

Author : Alan Vincent
Publisher : John Wiley & Sons
Page : 224 pages
File Size : 43,9 Mb
Release : 2013-06-05
Category : Science
ISBN : 9781118723388

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Molecular Symmetry and Group Theory by Alan Vincent Pdf

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: * A concise, gentle introduction to symmetry and group theory * Takes a programmed learning approach * New material on projection operators, and the calcultaion of normal modes of vibration and normalised wave functions of orbitals This book is suitable for all students of chemistry taking a first course in symmetry and group theory.

Elements of Molecular Symmetry

Author : Yngve Öhrn
Publisher : John Wiley & Sons
Page : 308 pages
File Size : 46,5 Mb
Release : 2000-01-24
Category : Science
ISBN : 0471363235

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Elements of Molecular Symmetry by Yngve Öhrn Pdf

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, quantum, physical, and inorganic chemists alike. Clearly explaining how general groups and group algebra describe molecules, Yngve Öhrn 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. Öhrn 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

The Irreducible Tensor Method for Molecular Symmetry Groups

Author : J. S. Griffith
Publisher : Courier Dover Publications
Page : 148 pages
File Size : 49,6 Mb
Release : 2006-03-10
Category : Science
ISBN : 9780486450476

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The Irreducible Tensor Method for Molecular Symmetry Groups by J. S. Griffith Pdf

Suitable for advanced undergraduates and graduate students, this text covers V coefficients for the octahedral group and other symmetry groups, W coefficients, irreducible products and their matrix elements, two-electron formulae for the octahedral group, fractional parentage, X coefficients, spin, and matrices of one-electron operators. 1962 edition.

Symmetry and Spectroscopy of Molecules

Author : K. Veera Reddy
Publisher : New Age International
Page : 28 pages
File Size : 54,7 Mb
Release : 2007
Category : Group theory
ISBN : 9788122424515

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Symmetry and Spectroscopy of Molecules by K. Veera Reddy Pdf

Molecular Symmetry

Author : David Willock
Publisher : John Wiley & Sons
Page : 438 pages
File Size : 50,8 Mb
Release : 2009-02-17
Category : Science
ISBN : 9780470747421

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Molecular Symmetry by David Willock Pdf

Symmetry and group theory provide us with a formal method for the description of the geometry of objects by describing the patterns in their structure. In chemistry it is a powerful method that underlies many apparently disparate phenomena. Symmetry allows us to accurately describe the types of bonding that can occur between atoms or groups of atoms in molecules. It also governs the transitions that may occur between energy levels in molecular systems, which in turn allows us to predict the absorption properties of molecules and hence their spectra. Molecular Symmetry lays out the formal language used in the area using illustrative examples of particular molecules throughout. It then applies the ideas of symmetry to describe molecular structure, bonding in molecules and consider the implications in spectroscopy.Topics covered include: Symmetry elements Symmetry operations and products of operations Point groups used with molecules Point group representations, matrices and basis sets Reducible and irreducible representations Applications in vibrational spectroscopy Symmetry in chemical bonding Molecular Symmetry is designed to introduce the subject by combining symmetry with spectroscopy in a clear and accessible manner. Each chapter ends with a summary of learning points, a selection of self-test questions, and suggestions for further reading. A set of appendices includes templates for paper models which will help students understand symmetry groups. Molecular Symmetry is a must-have introduction to this fundamental topic for students of chemistry, and will also find a place on the bookshelves of postgraduates and researchers looking for a broad and modern introduction to the subject

Molecular Symmetry and Group Theory

Author : R. C. Maurya,J.M. Mir
Publisher : Walter de Gruyter GmbH & Co KG
Page : 511 pages
File Size : 41,7 Mb
Release : 2019-09-02
Category : Science
ISBN : 9783110635126

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Molecular Symmetry and Group Theory by R. C. Maurya,J.M. Mir Pdf

The mathematical fundamentals of molecular symmetry and group theory are comprehensibly described in this book. Applications are given in context of electronic and vibrational spectroscopy as well as chemical reactions following orbital symmetry rules. Exercises and examples compile and deepen the content in a lucid manner.

Fundamentals of Molecular Symmetry

Author : P.R. Bunker,P. Jensen
Publisher : CRC Press
Page : 358 pages
File Size : 42,5 Mb
Release : 2018-10-03
Category : Science
ISBN : 9780429837005

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Fundamentals of Molecular Symmetry by P.R. Bunker,P. Jensen Pdf

Winner of a 2005 CHOICE Outstanding Academic Book Award Molecular symmetry is an easily applied tool for understanding and predicting many of the properties of molecules. Traditionally, students are taught this subject using point groups derived from the equilibrium geometry of the molecule. Fundamentals of Molecular Symmetry shows how to set up symmetry groups for molecules using the more general idea of energy invariance. It is no more difficult than using molecular geometry and one obtains molecular symmetry groups. The book provides an introductory description of molecular spectroscopy and quantum mechanics as the foundation for understanding how molecular symmetry is defined and used. The approach taken gives a balanced account of using both point groups and molecular symmetry groups. Usually the point group is only useful for isolated, nonrotating molecules, executing small amplitude vibrations, with no tunneling, in isolated electronic states. However, for the chemical physicist or physical chemist who wishes to go beyond these limitations, the molecular symmetry group is almost always required.

Symmetry Principles in Solid State and Molecular Physics

Author : Melvin Lax
Publisher : Courier Corporation
Page : 514 pages
File Size : 41,7 Mb
Release : 2001-01-01
Category : Science
ISBN : 9780486420011

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Symmetry Principles in Solid State and Molecular Physics by Melvin Lax Pdf

High-level text applies group theory to physics problems, develops methods for solving molecular vibration problems and for determining the form of crystal tensors, develops translational properties of crystals, more. 1974 edition.

Symmetry Theory in Molecular Physics with Mathematica

Author : William McClain
Publisher : Springer Science & Business Media
Page : 672 pages
File Size : 40,8 Mb
Release : 2010-03-12
Category : Science
ISBN : 9780387734705

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Symmetry Theory in Molecular Physics with Mathematica by William McClain Pdf

Prof. McClain has, quite simply, produced a new kind of tutorial book. It is written using the logic engine Mathematica, which permits concrete exploration and development of every concept involved in Symmetry Theory. It is aimed at students of chemistry and molecular physics who need to know mathematical group theory and its applications, either for their own research or for understanding the language and concepts of their field. The book begins with the most elementary symmetry concepts, then presents mathematical group theory, and finally the projection operators that flow from the Great Orthogonality are automated and applied to chemical and spectroscopic problems.

Atomic & Molecular Symmetry Groups and Chemistry

Author : S.C. Rakshit
Publisher : CRC Press
Page : 371 pages
File Size : 48,6 Mb
Release : 2021-08-18
Category : Science
ISBN : 9781000441376

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Atomic & Molecular Symmetry Groups and Chemistry by S.C. Rakshit Pdf

Atomic Symmetry Groups, being continuous groups, are just a fallout of the Lie Groups and Lie Algebras. Atoms are structurally simpler than molecules but atomic symmetry is more complex than molecular symmetry. In quantum mechanics we study atoms first and then the molecules. In symmetry studies, we do just the reverse. In this book, apart from theories, the description of both the symmetry groups – atomic and molecular, are attended with adequate applications. Please note: Taylor & Francis does not sell or distribute the Hardback in India, Pakistan, Nepal, Bhutan, Bangladesh and Sri Lanka.

Molecular Symmetry, Super-Rotation, and Semiclassical Motion

Author : Hanno Schmiedt
Publisher : Springer
Page : 171 pages
File Size : 41,5 Mb
Release : 2017-08-31
Category : Science
ISBN : 9783319660714

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Molecular Symmetry, Super-Rotation, and Semiclassical Motion by Hanno Schmiedt Pdf

This book presents a range of fundamentally new approaches to solving problems involving traditional molecular models. Fundamental molecular symmetry is shown to open new avenues for describing molecular dynamics beyond standard perturbation techniques. Traditional concepts used to describe molecular dynamics are based on a few fundamental assumptions, the ball-and-stick picture of molecular structure and the respective perturbative treatment of different kinds of couplings between otherwise separate motions. The book points out the conceptual limits of these models and, by focusing on the most essential idea of theoretical physics, namely symmetry, shows how to overcome those limits by introducing fundamentally new concepts. The book begins with an introduction to molecular symmetry in general, followed by a discussion of nuclear spin symmetry. Here, a new correlation between identical particle exchange and spin angular momentum symmetry of nuclei is exhibited. The central part of the book is the discussion of extremely floppy molecules, which are not describable in the framework of traditional theories. The book introduces a fundamentally new approach to describing the molecular dynamics of these molecules - the super-rotor model, which is based on a five-dimensional symmetry that has never been observed in molecules before. By applying the super-rotor theory to the prototype of floppy molecules, protonated methane, this model can consistently predict the symmetry and energy of low-energy states, which were characterized experimentally only a few years ago. The theoretical predictions agree with the experimental results, which makes the prospect of further developing the super-rotor theory and applying it to other molecules a promising one. In the final section, the book also covers the topic of ultrafast rotations, where usual quantum calculations reach their natural limits. A semi-classical method for determining rotational energies, developed in the early 1990s, is shown to be attachable to quantum calculations of the vibrational states. This new combined method is suitable for efficiently calculating ro-vibrational energies, even for molecular states with large angular momentum.