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Author: Philip Bunker
Publisher: Elsevier
ISBN: 032315025X
Category : Science
Languages : en
Pages : 441
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Book Description
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.
Author: Philip Bunker
Publisher: Elsevier
ISBN: 032315025X
Category : Science
Languages : en
Pages : 441
Get Book Here
Book Description
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.
Author: K.N. Rao
Publisher: Elsevier
ISBN: 0323150373
Category : Science
Languages : en
Pages : 437
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Book Description
Molecular Spectroscopy: Modern Research explores the advances in several phases of research in molecular spectroscopy. This eight-chapter book commemorates the 25th anniversary of the annual Columbus Symposium on Molecular Structure and Spectroscopy, held in September, 1970. This book highlights the spectroscopic studies of molecular species in the gas phase and in matrices. Representative articles are also included that cover the applications of molecular studies in a wide variety of areas such as biophysics, astrophysical problems, and energy transfer processes. Other chapters describe the progress achieved in the technology of high resolution spectroscopy and the techniques and terminology of Lamb-dip spectroscopy. A comprehensive bibliography is included for most of the subjects discussed and this text concludes with tables of standard data listing secondary wavelength standards, fundamental constants, atomic masses, and conversion factors of interest to spectroscopists. Spectroscopists, chemists, and researchers will find this work invaluable.
Author: Jeffrey I. Steinfeld
Publisher: Courier Corporation
ISBN: 0486137546
Category : Science
Languages : en
Pages : 514
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Book Description
This unified treatment introduces upper-level undergraduates and graduate students to the concepts and methods of modern molecular spectroscopy and their applications to quantum electronics, lasers, and related optical phenomena. Starting with a review of the prerequisite quantum mechanical background, the text examines atomic spectra and diatomic molecules, including the rotation and vibration of diatomic molecules and their electronic spectra. A discussion of rudimentary group theory advances to considerations of the rotational spectra of polyatomic molecules and their vibrational and electronic spectra; molecular beams, masers, and lasers; and a variety of forms of spectroscopy, including optical resonance spectroscopy, coherent transient spectroscopy, multiple-photon spectroscopy, and spectroscopy beyond molecular constants. The text concludes with a series of useful appendixes.
Author: Phillip R. Westmoreland
Publisher: Springer Science & Business Media
ISBN: 9401707650
Category : Science
Languages : en
Pages : 596
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Book Description
Computational molecular and materials modeling has emerged to deliver solid technological impacts in the chemical, pharmaceutical, and materials industries. It is not the all-predictive science fiction that discouraged early adopters in the 1980s. Rather, it is proving a valuable aid to designing and developing new products and processes. People create, not computers, and these tools give them qualitative relations and quantitative properties that they need to make creative decisions. With detailed analysis and examples from around the world, Applying Molecular and Materials Modeling describes the science, applications, and infrastructures that have proven successful. Computational quantum chemistry, molecular simulations, informatics, desktop graphics, and high-performance computing all play important roles. At the same time, the best technology requires the right practitioners, the right organizational structures, and - most of all - a clearly understood blend of imagination and realism that propels technological advances. This book is itself a powerful tool to help scientists, engineers, and managers understand and take advantage of these advances.
Author:
Publisher: ASTM International
ISBN:
Category :
Languages : en
Pages : 143
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Book Description
Author: Juan J. Iruin
Publisher: CRC Press
ISBN: 1000725456
Category : Technology & Engineering
Languages : en
Pages : 492
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Book Description
This is a new, basic introduction to polymer science. It is both comprehensive and readable. The authors are leading educators in this field with extensive backgrounds in industrial and academic polymer research. The text starts with a description of the types of microstructures found in polymer materials. This provides an understanding of some of the key features of the various mechanisms of homopolymerization and copolymerization which are discussed in following chapters. Also discussed in these chapters are the kinetics and statistics of polymerization, with a separate chapter on the characterization of chain structure by spectroscopic methods. The next part of the text deals with chain conformation, structure and morphology, leading to a discussion of crystallization, melting and glass transition. The discussion then moves from solid state to solution properties where solution thermodynamics is introduced. This provides the basis for discussion of the measurement of molecular weight by various solution methods. The final chapter deals with mechanical and rheological properties which are discussed from a phenomenological continuum approach and then in terms of a fundamental molecular perspective. Altogether, this new text provides a comprehensive, readable introduction to and overview of polymer science. It is well illustrated with schematics prepared for this text to help in the understanding of key concepts. It will provide a basic understanding of today's polymer science for technical and engineering personnel not already familiar with the subject, and a convenient update and overview for materials scientists.
Author: Gerhard Herzberg
Publisher:
ISBN:
Category : Molecules
Languages : en
Pages : 0
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Book Description
Author: Francis M. Mirabella
Publisher: John Wiley & Sons
ISBN: 9780471123590
Category : Science
Languages : en
Pages : 432
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Book Description
Dieses praxisorientierte Handbuch ist besonders für Neulinge auf dem Gebiet der Molekülspektroskopie gedacht. Es vermittelt das notwendige Grundwissen, um moderne Techniken im Laboralltag anwenden zu können, und zeigt, wie die Resultate geeignet auszuwerten sind. (04/98)
Author: Theodore Buyana
Publisher: World Scientific
ISBN: 9813103434
Category : Science
Languages : en
Pages : 780
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Book Description
This book combines in one concise volume the diverse work of several similar books in the market. Each chapter is self-contained and designed to serve the needs of graduates and undergraduates in physics, biochemistry and chemistry. Numerous illustrations accompany the material and more than 60 problems in molecular physics are worked out. Tedious mathematics that obscures the essence of physics is avoided. Though mainly theoretical, many important experimental aspects are included and discussed. It aims at teaching, and not commenting on scientific knowledge. An essential compendium, it can be used both as a textbook and a reference.The main features covered include: Quantum-mechanical treatment of molecular physics; theoretical treatment of molecular spectra and experimental techniques in spectroscopy; interatomic interactions, potentials, molecular stability, energy levels, bonds, rotational and vibrational states, anharmonicity, polarization; theoretical consideration of real molecules. Resonance methods (NMR, NQR, EPR and ENDOR. Theory, experimental apparatus, techniques, numerical results, applications and utility thereof).
Author: Reginald William Blake Pearse
Publisher: Chapman & Hall
ISBN:
Category : Science
Languages : en
Pages : 436
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Book Description
Experience in using the first list which we drew up of band heads arranged in order of wavelength showed that in extending this list to include a large number of molecules it was desirable to modify the system. The Tables for the Identification of Molecular Spectra are therefore divided into two sections. The first section consists of a list of the most prominent heads of the more persistent and better-known band systems of each molecule. These heads are listed in order of wavelength, with abbreviated information about the direction of degradation of the bands and their appearance, and, of course, the molecule responsible. In earlier editions we made an attempt to include estimates of relative intensity of the heads within the system, listing these intensities under the sources in which the head was likely to be observed; however, since only the most prominent heads of each system were included, most of the intensities were '10' and in many eases information was not really adequate. This information about intensities has therefore been omitted from the first section in this Fourth Edition. This has enabled the table to be set more compactly.
