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Molecular Structures And Vibrations
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Book Synopsis Molecular Structures and Vibrations by : Sven Josef Cyvin
Download or read book Molecular Structures and Vibrations written by Sven Josef Cyvin and published by . This book was released on 1972 with total page 544 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Molecular Vibrations by : E. Bright Wilson
Download or read book Molecular Vibrations written by E. Bright Wilson and published by Courier Corporation. This book was released on 2012-05-11 with total page 418 pages. Available in PDF, EPUB and Kindle. Book excerpt: Pedagogical classic and essential reference focuses on mathematics of detailed vibrational analyses of polyatomic molecules, advancing from application of wave mechanics to potential functions and methods of solving secular determinant.
Book Synopsis Vibrational Dynamics Of Molecules by : Joel M Bowman
Download or read book Vibrational Dynamics Of Molecules written by Joel M Bowman and published by World Scientific. This book was released on 2022-06-14 with total page 603 pages. Available in PDF, EPUB and Kindle. Book excerpt: Vibrational Dynamics of Molecules represents the definitive concise text on the cutting-edge field of vibrational molecular chemistry. The chapter contributors are a Who's Who of world leaders in the field. The editor, Joel Bowman, is widely considered as one of the founding fathers of theoretical reaction dynamics. The included topics span the field, from fundamental theory such as collocation methods and vibrational CI methods, to interesting applications such as astrochemistry, supramolecular systems and virtual computational spectroscopy. This is a useful reference for theoretical chemists, spectroscopists, physicists, undergraduate and graduate students, lecturers and software developers.
Book Synopsis Vibration-rotational Spectroscopy and Molecular Dynamics by : Du?an Papou?ek
Download or read book Vibration-rotational Spectroscopy and Molecular Dynamics written by Du?an Papou?ek and published by World Scientific. This book was released on 1997 with total page 578 pages. Available in PDF, EPUB and Kindle. Book excerpt: The book reviews the results of vibration-rotational spectroscopy of molecules obtained recently by combining modern computational methods of quantum chemistry with the new techniques of high-resolution rotational and vibration-rotational spectroscopy. It shows for example that the tunneling vibration-rotational spectroscopy of the van der Waals complexes provides a new look at intermolecular forces while the high precision and sensitivity of the submillimeter-wave and Fourier transform microwave spectroscopy make it possible to study complex rotational spectra of molecules in excited vibrational states. New results of high level ab initio quantum chemical computations of vibrational and rotational energy levels and dipole moment functions of unusual molecules will be discussed together with the recent discovery of clustering of energy levels in asymmetric tops. Group theoretical analysis of floppy molecules, especially the tunneling effects in nonrigid molecules, will also be discussed.
Book Synopsis Structures and Conformations of Non-Rigid Molecules by : J. Laane
Download or read book Structures and Conformations of Non-Rigid Molecules written by J. Laane and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 640 pages. Available in PDF, EPUB and Kindle. Book excerpt: From the beginnings of modern chemistry, molecular structure has been a lively area of research and speculation. For more than half a century spectroscopy and other methods have been available to characterize the structures and shapes of molecules, particularly those that are rigid. However, most molecules are at least to some degree non-rigid and this non-rigidity plays an important role in such diverse areas as biological activity, energy transfer, and chemical reactivity. In addition, the large-amplitude vibrations present in non-rigid molecules give rise to unusual low-energy vibrational level patterns which have a dramatic effect on the thermodynamic properties of these systems. Only in recent years has a coherent picture of the energetics and dynamics of the conformational changes inherent in non-rigid (and semi-rigid) molecules begun to emerge. Advances have been made in a number of different experimental areas: vibrational (infrared and Raman) spectroscopy, rotational (microwave) spectroscopy, electron diffraction, and, most recently, laser techniques probing both the ground and excited electronic states. Theoretically, the proliferation of powerful computers coupled with scientific insight has allowed both empirical and ab initio methods to increase our understanding of the forces responsible for the structures and energies of non-rigid systems. The development of theory (group theoretical methods and potential energy surfaces) to understand the unique characteristics of the spectra of these floppy molecules has also been necessary to reach our present level of understanding. The thirty chapters in this volume contributed by the key speakers at the Workshop are divided over the various areas. Both vibrational and rotational spectroscopy have been effective at determining the potential energy surfaces for non-rigid molecules, often in a complementary manner. Recent laser fluorescence work has extended these types of studies to electronic excited states. Electronic diffraction methods provide radial distribution functions from which both molecular structures and compositions of conformational mixtures can be found. Ab initio calculations have progressed substantially over the past few years, and, when carried out at a sufficiently high level, can accurately reproduce (or predict ahead of time) experimental findings. Much of the controversy of the ARW related to the question of when an ab initio is reliable. Since the computer programs are readily available, many poor calculations have been carried out. However, excellent results can be obtained from computations when properly done. A similar situation exists for experimental analyses. The complexities of non-rigid molecules are many, but major strides have been taken to understand their structures and conformational processes.
Book Synopsis Equilibrium Molecular Structures by : Jean Demaison
Download or read book Equilibrium Molecular Structures written by Jean Demaison and published by CRC Press. This book was released on 2016-04-19 with total page 302 pages. Available in PDF, EPUB and Kindle. Book excerpt: Molecular structure is the most basic information about a substance, determining most of its properties. Determination of accurate structures is hampered in that every method applies its own definition of "structure" and thus results from different sources can yield significantly different results. Sophisticated protocols exist to account for these
Book Synopsis Accurate Structure Determination of Free Molecules by : Jean Demaison
Download or read book Accurate Structure Determination of Free Molecules written by Jean Demaison and published by Springer Nature. This book was released on 2020-12-02 with total page 291 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book presents a detailed look at experimental and computational techniques for accurate structure determination of free molecules. The most fundamental property of a molecule is its structure – it is a prerequisite for determining and understanding most other important properties of molecules. The determination of accurate structures is hampered by a myriad of factors, subjecting the collected data to non-negligible systematic errors. This book explains the origin of these errors and how to mitigate and even avoid them altogether. It features a detailed comparison of the different experimental and computation methods, explaining their interplay and the advantages of their combined use. Armed with this information, the reader will be able to choose the appropriate methods to determine – to a great degree of accuracy – the relevant molecular structure.
Book Synopsis Symmetry through the Eyes of a Chemist by : Istvan Hargittai
Download or read book Symmetry through the Eyes of a Chemist written by Istvan Hargittai and published by Springer Science & Business Media. This book was released on 2007-08-29 with total page 475 pages. Available in PDF, EPUB and Kindle. Book excerpt: We have been gratified by the warm reception of our book, by reviewers, colleagues, and students alike. Our interest in the subject matter of this book has not decreased since its first appearance; on the contrary. The first and second editions envelop eight other symmetry-related books in the creation of which we have participated: I. Hargittai (ed.), Symmetry: Unifying Human Understanding, Pergamon Press, New York, 1986. I. Hargittai and B. K. Vainshtein (eds.), Crystal Symmetries. Shubnikov Centennial Papers, Pergamon Press, Oxford, 1988. M. Hargittai and I. Hargittai, Fedezziikf6l a szimmetri6t! (Discover Sym- try, in Hungarian), Tank6nyvkiad6, Budapest, 1989. I. Hargittai (ed.), Symmetry 2: Unifying Human Understanding, Pergamon Press, Oxford, 1989. I. Hargittai (ed.), Quasicrystals, Networks, and Molecules of Fivefold Sym- try, VCH, New York, 1990. I. Hargittai (ed.), Fivefold Symmetry, World Scientific, Singapore, 1992. I. Hargittai and C. A. Pickover (eds.), Spiral Symmetry, World Scientific, Singapore, 1992. I. Hargittai and M. Hargittai, Symmetry: A Unifying Concept, Shelter Publi- tions, Bolinas, California, 1994. We have also pursued our molecular structure research, and some books have appeared related to these activities: vi Preface to the Second Edition I. Hargittai and M. Hargittai (eds.), Stereochemical Applications of Gas-Phase Electron Diffraction, Parts A and B, VCH, New York, 1988. R. Gillespie and I. Hargittai, VSEPR Model of Molecular Geometry, Allyn and Bacon, Boston, 1991. A. Domenicano and I. Hargittai (eds.), Accurate Molecular Structures, Oxford University Press, Oxford, 1992.
Book Synopsis Quantum Mechanics of Molecular Structures by : Kaoru Yamanouchi
Download or read book Quantum Mechanics of Molecular Structures written by Kaoru Yamanouchi and published by Springer. This book was released on 2015-03-07 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: At a level accessible to advanced undergraduates, this textbook explains the fundamental role of quantum mechanics in determining the structure, dynamics, and other properties of molecules. Readers will come to understand the quantum-mechanical basis for harmonic oscillators, angular momenta and scattering processes. Exercises are provided to help readers deepen their grasp of the essential phenomena.
Book Synopsis Symmetry Representations of Molecular Vibrations by : M.A. Wahab
Download or read book Symmetry Representations of Molecular Vibrations written by M.A. Wahab and published by Springer Nature. This book was released on 2022-09-20 with total page 300 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book presents a comprehensive theoretical basis of symmetry representations of molecular vibrations, matrix representation of symmetries, and the elements of group theory that are relevant to other symmetry elements/operations, crystallographic and molecular point groups. The book helps understand the reducible and irreducible representations of symmetry matrices and then derive the normal modes of vibration of different molecules by using suitable techniques independently. Targeted to graduate students and researchers, this book aims not only to derive the normal modes of vibration of any given molecule themselves but also compares and verifies them with the experimentally found modes by using IR and Raman-related techniques. For the first time in the crystallographic history, this book presents the group multiplication tables of all 32 point groups in both international and Schoenflies notations.
Book Synopsis The Molecular Structure and Infra-red Spectrum of Methane ... by : David Mathias Dennison
Download or read book The Molecular Structure and Infra-red Spectrum of Methane ... written by David Mathias Dennison and published by . This book was released on 1925 with total page 32 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Advances in Molecular Vibrations and Collision Dynamics by :
Download or read book Advances in Molecular Vibrations and Collision Dynamics written by and published by Elsevier. This book was released on 1998-09-25 with total page 460 pages. Available in PDF, EPUB and Kindle. Book excerpt: This volume focuses on molecular clusters, bound by van der Waals interactions and hydrogen bonds. Twelve chapters review a wide range of recent theoretical and experimental advances in the areas of cluster vibrations, spectroscopy, and reaction dynamics. The authors are leading experts, who have made significant contributions to these topics. The first chapter describes exciting results and new insights in the solvent effects on the short-time photo fragmentation dynamics of small molecules, obtained by combining heteroclusters with femtosecond laser excitation. The second is on theoretical work on effects of single solvent (argon) atom on the photodissociation dynamics of the solute H2O molecule. The next two chapters cover experimental and theoretical aspects of the energetics and vibrations of small clusters. Chapter 5 describes diffusion quantum Monte Carlo calculations and non additive three-body potential terms in molecular clusters. The next six chapters deal with hydrogen-bonded clusters, reflecting the ubiquity and importance of hydrogen-bonded networks. The final chapter provides the microscopic theory of the dynamics and spectroscopy of doped helium cluster, highly quantum systems whose unusual properties have been studied extensively in the past couple of years.
Book Synopsis Sulphone Molecular Structures by : Istvan Hargittai
Download or read book Sulphone Molecular Structures written by Istvan Hargittai and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 182 pages. Available in PDF, EPUB and Kindle. Book excerpt: Recently, the molecular structures of a relatively large number of sulphone compounds have been elucidated in the vapour phase by electron diffraction and microwave spectroscopy. The main purpose of these studies is the determination of the sulphur bond configuration and the conformational properties. This leads to the observation and correlation of characteristic structural variations as various ligands are attached to the S02 group and as comparisons are made with related molecules. Today it may be said that the structure of sulphone molecules is relatively well studied, and it appeared necessary to systematize the accumulated experimental data after critical considerations. This is done in the first part of this monograph. The second part presents the observed characteristic structural variations. Attempts are made to interpret these variations by valence shell electron pair repulsions and-non-bonded interactions. Correlation relationships between geometric and vibrational parameters are also presented. It is the metrical aspects of the molecular structure which are primarily considered. Since they correlate with other aspects of the molecular structure, e.g. electronic, it is hoped that the experimental information on the molecular geometry provides stim ulus for further experimental, and, in particular, theoretical work on sulphones and related systems. IV It is attempted to cover all electron diffraction and micro wave spectroscopic investigations on sulphone molecules to date. Admittedly, however, relatively larger weight is given to the electron diffraction studies originating from the author's own laboratory.
Book Synopsis Chemistry, Life, the Universe and Everything by : Melanie Cooper
Download or read book Chemistry, Life, the Universe and Everything written by Melanie Cooper and published by . This book was released on 2014-06-27 with total page 218 pages. Available in PDF, EPUB and Kindle. Book excerpt: As you can see, this "molecular formula is not very informative, it tells us little or nothing about their structure, and suggests that all proteins are similar, which is confusing since they carry out so many different roles.
Book Synopsis Nonlinearity and Chaos in Molecular Vibrations by : Guozhen Wu
Download or read book Nonlinearity and Chaos in Molecular Vibrations written by Guozhen Wu and published by Elsevier. This book was released on 2005-07-01 with total page 321 pages. Available in PDF, EPUB and Kindle. Book excerpt: Nonlinearity and Chaos in Molecular Vibrations deals systematically with a Lie algebraic approach to the study of nonlinear properties of molecular highly excited vibrations. The fundamental concepts of nonlinear dynamics such as chaos, fractals, quasiperiodicity, resonance, and the Lyapunov exponent, and their roles in the study of molecular vibrations are presented.The 20 chapters cover the basic ideas, the concept of dynamical groups, the integrable two-mode SU(2) system, the unintegrable three-mode SU(3) system, the noncompact su(1,1) algebraic application, su(3) symmetry breaking and its application and the quantal effect of asymmetric molecular rotation. Emphasis is given to: resonance and chaos, the fractal structure of eigencoefficients, the C-H bend motion of acetylene, regular and chaotic motion of DCN, the existence of approximately conserved quantum numbers, one-electronic motion in multi-sites, the Lyapunov exponent, actions of periodic trajectories and quantization, the H function and its application in vibrational relaxation as well as the Dixon dip and its destruction and chaos in the transitional states. This approach bridges the gap between molecular vibrational spectroscopy and nonlinear dynamics.The book presents a framework of information that readers can use to build their knowledge, and is therefore highly recommended for all those working in or studying molecular physics, molecular spectroscopy, chemical physics and theoretical physics. * Discusses nonlinearity and chaotic phenomena in molecular vibrations* Approaches the complicated highly excited molecular vibration* Provides clear information for students and researchers looking to expand knowledge in this field
Book Synopsis Vibronic Coupling Density by : Tatsuhisa Kato
Download or read book Vibronic Coupling Density written by Tatsuhisa Kato and published by Springer Nature. This book was released on 2021-06-18 with total page 122 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book introduces vibronic coupling density and vibronic coupling constant analyses as a way to understand molecular structure and chemical reactions. After quantum study, the behavior of electrons circulating around nuclei led to the principal concept that underlies all explanations in chemistry. Many textbooks have given plausible explanations to clarify molecular structure—for example, the bond elongation of ethylene under anionization and the nonplanar structure of ammonia. Frontier molecular orbital concepts were proposed to visualize the path of chemical reactions, and conventional explanations gave students a familiarity with molecular structures in terms of the electronic state. By contrast, this book offers a more rational and more convincing path to understanding. It starts from the ab initio molecular Hamiltonian and provides systematic, rational approaches to comprehend chemical phenomena. In this way, the book leads the reader to a grasp of the quantitative evaluation of the force applied under the molecular deformation process. As well, guidelines are offered for integrating the traditional “hand-waving” approach of chemistry with more rational and general VCD and VCC alternatives along with the outlook for newly functionalized chemical systems.
Book Synopsis Molecular Structure by Diffraction Methods Volume 5 by : L. E. Sutton
Download or read book Molecular Structure by Diffraction Methods Volume 5 written by L. E. Sutton and published by Royal Society of Chemistry. This book was released on 1977 with total page 456 pages. Available in PDF, EPUB and Kindle. Book excerpt: Specialist Periodical Reports provide systematic and detailed review coverage of progress in the major areas of chemical research. Written by experts in their specialist fields the series creates a unique service for the active research chemist, supplying regular critical in-depth accounts of progress in particular areas of chemistry. For over 80 years the Royal Society of Chemistry and its predecessor, the Chemical Society, have been publishing reports charting developments in chemistry, which originally took the form of Annual Reports. However, by 1967 the whole spectrum of chemistry could no longer be contained within one volume and the series Specialist Periodical Reports was born. The Annual Reports themselves still existed but were divided into two, and subsequently three, volumes covering Inorganic, Organic and Physical Chemistry. For more general coverage of the highlights in chemistry they remain a 'must'. Since that time the SPR series has altered according to the fluctuating degree of activity in various fields of chemistry. Some titles have remained unchanged, while others have altered their emphasis along with their titles; some have been combined under a new name whereas others have had to be discontinued. The current list of Specialist Periodical Reports can be seen on the inside flap of this volume.