Download or read book Large Amplitude Motion in Molecules written by and published by . This book was released on 1979 with total page 240 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Large Amplitude Motion in Molecules written by Heinz Frei and published by . This book was released on 1979 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Large Amplitude Motion in Molecules I written by Friedrich L. Boschke and published by Springer. This book was released on 2014-04-17 with total page 182 pages. Available in PDF, EPUB and Kindle. Book excerpt:
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.
Download or read book Vibrational Studies of Large amplitude Molecular Motions in Solids written by Robert Marcus Corn and published by . This book was released on 1983 with total page 342 pages. Available in PDF, EPUB and Kindle. Book excerpt:
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.
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.
Download or read book Advances in Molecular Structure Research written by and published by Elsevier. This book was released on 1997-03-08 with total page 345 pages. Available in PDF, EPUB and Kindle. Book excerpt: Advances in Molecular Structure Research
Download or read book Equilibrium Structure of Free Molecules written by Natalja Vogt and published by Springer Nature. This book was released on 2023-12-06 with total page 482 pages. Available in PDF, EPUB and Kindle. Book excerpt: The properties of chemical, pharmaceutical, and biological compounds depend mainly on their molecular structure, whose determination is of fundamental interest. This book examines and systematizes more than three hundred striking structural determinations of free molecules. Featuring high-quality structural data and presenting modern techniques of their determinations by quantum chemistry, high-resolution spectroscopy and electron diffraction, the book is an indispensable resource for graduate students and professional scientists specializing in structural chemistry and other related fields.
Download or read book Frontiers of Molecular Spectroscopy written by Jaan Laane and published by Elsevier. This book was released on 2011-08-11 with total page 741 pages. Available in PDF, EPUB and Kindle. Book excerpt: Much of what we know about atoms, molecules, and the nature of matter has been obtained using spectroscopy over the last one hundred years or so. In this book we have collected together twenty chapters by eminent scientists from around the world to describe their work at the cutting edge of molecular spectroscopy. These chapters describe new methodology and applications, instrumental developments, and theory which is taking spectroscopy into new frontiers. The range of topics is broad. Lasers are utilized in much of the research, but their applications range from sub-femtosecond spectroscopy to the study of viruses and also to the investigation of art and archeological artifacts. Three chapters discuss work on biological systems and three others represent laser physics. The recent advances in cavity ringdown spectroscopy (CRDS), surface enhanced Raman spectroscopy (SERS), two-dimensional correlation spectroscopy (2D-COS), and microwave techniques are all covered. Chapters on electronic excited states, molecular dynamics, symmetry applications, and neutron scattering are also included and demonstrate the wide utility of spectroscopic techniques. - Provides comprehensive coverage of present spectroscopic investigations - Features 20 chapters written by leading researchers in the field - Covers the important role of molecular spectroscopy in research concerned with chemistry, physics, and biology
Download or read book Structure Data of Free Polyatomic Molecules written by Natalja Vogt and published by Springer Nature. This book was released on 2020-01-02 with total page 930 pages. Available in PDF, EPUB and Kindle. Book excerpt: This handbook presents structural data on free polyatomic molecules. Since the structure of molecules defines the chemical, physical and biological properties of matter, this information is crucial for understanding, explaining and predicting chemical reactions and biochemical processes, developing new drugs and materials as well as studying interstellar media. Covering the structural data published between 2009 and 2017, this book supplements the previous Landolt–Börnstein volumes “Structure Data of Free Polyatomic Molecules” (eds. K. Kuchitsu, N. Vogt, M. Tanimoto), which included data from the literature published up to 2008. It systematizes and describes peculiarities of molecular structures for about 1000 compounds studied mainly by gas-phase electron diffraction and rotational spectroscopy. All structures are given in three-dimensional representations.
Download or read book Handbook of High resolution Spectroscopy written by Martin Quack and published by John Wiley & Sons. This book was released on 2011-09-26 with total page 2236 pages. Available in PDF, EPUB and Kindle. Book excerpt: The field of High-Resolution Spectroscopy has been considerably extended and even redefined in some areas. Combining the knowledge of spectroscopy, laser technology, chemical computation, and experiments, Handbook of High-Resolution Spectroscopy provides a comprehensive survey of the whole field as it presents itself today, with emphasis on the recent developments. This essential handbook for advanced research students, graduate students, and researchers takes a systematic approach through the range of wavelengths and includes the latest advances in experiment and theory that will help and guide future applications. The first comprehensive survey in high-resolution molecular spectroscopy for over 15 years Brings together the knowledge of spectroscopy, laser technology, chemical computation and experiments Brings the reader up-to-date with the many advances that have been made in recent times Takes the reader through the range of wavelengths, covering all possible techniques such as Microwave Spectroscopy, Infrared Spectroscopy, Raman Spectroscopy, VIS, UV and VUV Combines theoretical, computational and experimental aspects Has numerous applications in a wide range of scientific domains Edited by two leaders in this field Provides an overview of rotational, vibration, electronic and photoelectron spectroscopy Volume 1 - Introduction: Fundamentals of Molecular Spectroscopy Volume 2 - High-Resolution Molecular Spectroscopy: Methods and Results Volume 3 - Special Methods & Applications
Download or read book Water in Biological and Chemical Processes written by Biman Bagchi and published by Cambridge University Press. This book was released on 2013-11-14 with total page 383 pages. Available in PDF, EPUB and Kindle. Book excerpt: A unified overview of the dynamical properties of water and its unique and diverse role in biological and chemical processes.
Download or read book Stereochemical Applications of Gas Phase Electron Diffraction Part A written by Istv¿n Hargittai and published by John Wiley & Sons. This book was released on 1988-10-01 with total page 594 pages. Available in PDF, EPUB and Kindle. Book excerpt: This collection of twenty-six articles by leading experts is the first truly comprehensive account of the gas-phase electron diffraction technique. It is written for the non-specialist users of structural information. Part A discusses the development and present capabilities of gas electron diffraction. Several contributions deal with the combined application of various techniques. Part B contains the structural information and also presents trends and interpretations of structural variations.
Download or read book Structure and Dynamics of Non Rigid Molecular Systems written by Y.G. Smeyers and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 316 pages. Available in PDF, EPUB and Kindle. Book excerpt: This volume contains a selection of scientific papers related to the structure and dynamics of non-rigid molecules. This frontline topic was born a few decades ago, when Longuet-Higgins proposed his famous theory of Molecular Symmetry Groups (Mol. Phys. 6, (1962) 457). Unfortunately, since this early paper, very few publications have been devoted to the study of non-rigid molecules. Let us mention some books which dedicate some chapters to them: Induced Representations in Crystals and Molecules, by S. L. Altmann, Academic Publishers, 1977; Molecular Symmetry and Spectroscopy, by P. R. Bunker, Academic Publishers, 1979; and finally Large Amplitude Motion in Molecules, Vols. I and II, by several authors, Springer Verlag, 1979. More recently an International Symposium on Non-Rigid Molecules was held in Paris, France, from 1-7 July 1982, the proceedings of which were published in the volume entitled Symmetries and Properties of Non-Rigid Molecules. A Comprehensive Survey, edited by J. Maruani et al., Elsevier, 1983. Finally, we should mention the very specialized work The Permutational Approach to Dynamic Stereochemistry, by J. Brocas et al., McGraw-Hill, 1983. The purpose of this book is to fill in this information on the structure and dynamics of non-rigid systems. To this aim, we have gathered a collection of recent papers written by the most qualified specialists in the world, covering a large field from van der Waals molecules to inorganic complexes and organic polyrotor molecules, as well as considering statistical and dynamic aspects.
Download or read book Practical Aspects of Computational Chemistry I written by Jerzy Leszczynski and published by Springer Science & Business Media. This book was released on 2012-01-13 with total page 687 pages. Available in PDF, EPUB and Kindle. Book excerpt: Practical Aspects of Computational Chemistry I: An Overview of the Last Two Decades and Current Trends gathers the advances made within the last 20 years by well-known experts in the area of theoretical and computational chemistry and physics. The title itself reflects the celebration of the twentieth anniversary of the “Conference on Current Trends in Computational Chemistry (CCTCC)” to which all authors have participated and contributed to its success. This volume poses (and answers) important questions of interest to the computational chemistry community and beyond. What is the historical background of the “Structural Chemistry”? Is there any way to avoid the problem of intruder state in the multi-reference formulation? What is the recent progress on multi-reference coupled cluster theory? Starting with a historical account of structural chemistry, the book focuses on the recent advances made in promising theories such as many body Brillouin-Wigner theory, multireference state-specific coupled cluster theory, relativistic effect in chemistry, linear and nonlinear optical properties of molecules, solution to Kohn-Sham problem, electronic structure of solid state materials, development of model core potential, quantum Monte Carlo method, nano and molecular electronics, dynamics of photodimerization and excited states, intermolecular interactions, hydrogen bonding and non-hydrogen bonding interactions, conformational flexibility, metal cations in zeolite catalyst and interaction of nucleic acid bases with minerals. Practical Aspects of Computational Chemistry I: An Overview of the Last Two Decades and Current Trends is aimed at theoretical and computational chemists, physical chemists, materials scientists, and particularly those who are eager to apply computational chemistry methods to problem of chemical and physical importance. This book will provide valuable information to undergraduate, graduate, and PhD students as well as to established researchers.
Download or read book Advances in Atomic Molecular and Optical Physics written by and published by Elsevier. This book was released on 2006-12-13 with total page 749 pages. Available in PDF, EPUB and Kindle. Book excerpt: Volume 54 of the Advances in Atomic, Molecular, and Optical Physics Series contains ten contributions, covering a diversity of subject areas in atomic, molecular and optical physics. The article by Regal and Jin reviews the properties of a Fermi degenerate gas of cold potassium atoms in the crossover regime between the Bose-Einstein condensation of molecules and the condensation of fermionic atom pairs. The transition between the two regions can be probed by varying an external magnetic field. Sherson, Julsgaard and Polzik explore the manner in which light and atoms can be entangled, with applications to quantum information processing and communication. They report on the result of recent experiments involving the entanglement of distant objects and quantum memory of light. Recent developments in cold Rydberg atom physics are reviewed in the article by Choi, Kaufmann, Cubel-Liebisch, Reinhard, and Raithel. Fascinating experiments are described in which cold, highly excited atoms ("Rydberg atoms) and cold plasmas are generated. Evidence for a collective excitation of Rydberg matter is also presented. Griffiin and Pindzola offer an account of non-perturbative quantal methods for electron-atom scattering processes. Included in the discussion are the R-matrix with pseudo-states method and the time-dependent close-coupling method. An extensive review of the R-matrix theory of atomic, molecular, and optical processes is given by Burke, Noble, and Burke. They present a systematic development of the R-matrix method and its applications to various processes such as electron-atom scattering, atomic photoionization, electron-molecule scattering, positron-atom scattering, and atomic/molecular multiphoton processes. Electron impact excitation of rare-gas atoms from both their ground and metastable states is discussed in the article by Boffard, Jung, Anderson, and Lin. Excitation cross sections measured by the optical method are reviewed with emphasis on the physical interpretation in terms of electronic structure of the target atoms. Ozier and Moazzen-Ahmadi explore internal rotation of symmetric top molecules. Developments of new experimental methods based on high-resolution torsional, vibrational, and molecular beam spectroscopy allow accurate determination of internal barriers for these symmetric molecules. The subject of attosecond and angstrom science is reviewed by Niikura and Corkum. The underlying physical mechanisms allowing one to generate attosecond radiation pulses are described and the technology needed for the preparation of such pulses is discussed. LeGouët, Bretenaker, and Lorgeré describe how rare earth ions embedded in crystals can be used for processing optically carried broadband radio-frequency signals. Methods for reaching tens of gigahertz instantaneous bandwidth with submegahertz resolution using such devices are analyzed in detail and demonstrated experimentally. Finally, in the article by Illing, Gauthier, and Roy, it is shown that small perturbations applied to optical systems can be used to suppress or control optical chaos, spatio-temporal dynamics, and patterns. Applications of these techniques to communications, laser stabilization, and improving the sensitivity of low-light optical switches are explored. - International experts - Comprehensive articles - New developments
