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.
Download or read book Air Force Research Resum s written by and published by . This book was released on with total page 572 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 Spectroscopy With Neutrons With Applications In Chemistry Biology Materials Science And Catalysis written by Philip C H Mitchell and published by World Scientific. This book was released on 2005-06-15 with total page 670 pages. Available in PDF, EPUB and Kindle. Book excerpt: Inelastic neutron scattering (INS) is a spectroscopic technique in which neutrons are used to probe the dynamics of atoms and molecules in solids and liquids. This book is the first, since the late 1960s, to cover the principles and applications of INS as a vibrational-spectroscopic technique. It provides a hands-on account of the use of INS, concentrating on how neutron vibrational spectroscopy can be employed to obtain chemical information on a range of materials that are of interest to chemists, biologists, materials scientists, surface scientists and catalyst researchers. This is an accessible and comprehensive single-volume primary text and reference source.
Download or read book Theoretical and Computational Chemistry written by Iwona Gulaczyk and published by Walter de Gruyter GmbH & Co KG. This book was released on 2021-06-08 with total page 332 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book explores the applications of computational chemistry ranging from the pharmaceutical industry and molecular structure determination to spectroscopy and astrophysics. The authors detail how calculations can be used to solve a wide range of practical challenges encountered in research and industry.
Download or read book Vibrational rotational Spectroscopy And Molecular Dynamics written by Dusan Papousek and published by World Scientific. This book was released on 1997-10-31 with total page 576 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 Challenges in Molecular Structure Determination written by Manfred Reichenbächer and published by Springer Science & Business Media. This book was released on 2012-03-23 with total page 500 pages. Available in PDF, EPUB and Kindle. Book excerpt: Taking a problem-based approach, the authors provide a practice-oriented and systematic introduction to both organic and inorganic structure determination by spectroscopic methods. This includes mass spectrometry, vibrational spectroscopies, UV/VIS spectroscopy and NMR as well as applying combinations of these methods. The authors show how to elucidate chemical structures with a minimal number of spectroscopic techniques. Readers can train their skills by more than 400 problems with varying degree of sophistication. Interactive Powerpoint-Charts are available as Extra Materials to support self-study.
Download or read book Vibrational Optical Activity written by Laurence A. Nafie and published by John Wiley & Sons. This book was released on 2011-07-12 with total page 373 pages. Available in PDF, EPUB and Kindle. Book excerpt: This unique book stands as the only comprehensive introduction to vibrational optical activity (VOA) and is the first single book that serves as a complete reference for this relatively new, but increasingly important area of molecular spectroscopy. Key features: A single-source reference on this topic that introduces, describes the background and foundation of this area of spectroscopy. Serves as a guide on how to use it to carry out applications with relevant problem solving. Depth and breadth of the subject is presented in a logical, complete and progressive fashion. Although intended as an introductory text, this book provides in depth coverage of this topic relevant to both students and professionals by taking the reader from basic theory through to practical and instrumental approaches.
Download or read book Spectroscopic Methods in Mineralogy and Geology written by Frank C. Hawthorne and published by Walter de Gruyter GmbH & Co KG. This book was released on 2018-12-17 with total page 716 pages. Available in PDF, EPUB and Kindle. Book excerpt: Volume 18 of Reviews in Mineralogy provides a general introduction to the use of spectroscopic techniques in Earth Sciences. It gives an Introduction To Spectroscopic Methods and covers Symmetry, Group Theory And Quantum Mechanics; Spectrum-Fitting Methods; Infrared And Raman Spectroscopy; Inelastic Neutron Scattering; Vibrational Spectroscopy Of Hydrous Components; Optical Spectroscopy; Mossbauer Spectroscopy; MAS NMR Spectroscopy Of Minerals And Glasses; NMR Spectroscopy And Dynamic Processes In Mineralogy And Geochemistry; X-Ray Absorption Spectroscopy: Applications In Mineralogy ind Geochemistry; Electron Paramagnetic Resonance; Auger Electron And X-Ray Photelectron Spectroscopies and Luminescence, X-Ray Emission and New Spectroscopies. The authors of this volume presented a short course, entitled "Spectroscopic Methods in Mineralogy and Geology", May 13-15, 1988, in Hunt Valley, Maryland.
Download or read book Essays in Structural Chemistry written by A. J. Downs and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 502 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book deals with selected aspects of structural chemistry, concentrating particularly on molecular and Raman spectroscopy. The authors of the various chapters were chosen from friends, colleagues and past students of Len Woodward. It is our hope that the book will prove useful both to honours students and to research workers. We would like to thank all our contributors for their willing cooperation in this endeavour. We are also grateful to all those who have given permission for the reproduction of copyright material from other publica tions; specific acknowledgments are made in each chapter. We are par ticularly indebted to the Principal and Fellows of Jesus College, Oxford, and the artist, H. A. Freeth, R.A., for permission to reproduce the portrait of Len Woodward which forms the frontispiece. Our thanks are also due to Mrs. J. Stevenson, who undertook a great deal of the secretarial work associated with the organization of this volume, and to Mr. P. Espe who photographed the portrait. The royalties from the sale of this book will, in the first instance, go to Jesus College, Oxford, and will be used for the establishment of a prize to be associated with Len Woodward's name.
Download or read book Research Awards Index written by and published by . This book was released on 1989 with total page 742 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Reports on Astronomy written by Edith Muller and published by Springer Science & Business Media. This book was released on 1979-05-30 with total page 236 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Molecular Spectroscopy 2 Volume Set written by Yukihiro Ozaki and published by John Wiley & Sons. This book was released on 2019-09-03 with total page 636 pages. Available in PDF, EPUB and Kindle. Book excerpt: Uniquely creates a strong bridge between molecular spectroscopy and quantum chemistry This two-volume book consists of many reviews reporting new applications of quantum chemistry to molecular spectroscopy (Raman, infrared, near-infrared, terahertz, far-ultraviolet, etc.). It contains brief introductions to quantum chemistry for spectroscopists, and to the recent progress on molecular spectroscopy for quantum chemists. Molecular Spectroscopy: A Quantum Chemistry Approach examines the recent progress made in the field of molecular spectroscopy; the state of the art of quantum chemistry for molecular spectroscopy; and more. It offers multiple chapters covering the application of quantum chemistry to: visible absorption and fluorescence, Raman spectroscopy, infrared spectroscopy, near-infrared spectroscopy, terahertz spectroscopy, and far-ultraviolet spectroscopy. It presents readers with hydrogen bonding studies by vibrational spectroscopy and quantum chemistry, as well as vibrational spectroscopy and quantum chemistry studies on both biological systems and nano science. The book also looks at vibrational anharmonicity and overtones, and nonlinear and time-resolved spectroscopy. -Comprehensively covers existing and recent applications of quantum chemistry to molecular spectroscopy -Introduces the quantum chemistry for the field of spectroscopy and the advancements being made on molecular spectroscopy for quantum chemistry -Edited by world leading experts who have long standing, extensive experience and international standing in the field Molecular Spectroscopy: A Quantum Chemistry Approach is an ideal book for analytical chemists, theoretical chemists, chemists, biochemists, materials scientists, biologists, and physicists interested in the subject.
Download or read book Scientific and Technical Aerospace Reports written by and published by . This book was released on 1988 with total page 892 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Solvation Thermodynamics written by Arieh Y. Ben-Naim and published by Springer Science & Business Media. This book was released on 2013-03-09 with total page 253 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book deals with a subject that has been studied since the beginning of physical chemistry. Despite the thousands of articles and scores of books devoted to solvation thermodynamics, I feel that some fundamen tal and well-established concepts underlying the traditional approach to this subject are not satisfactory and need revision. The main reason for this need is that solvation thermodynamics has traditionally been treated in the context of classical (macroscopic) ther modynamics alone. However, solvation is inherently a molecular pro cess, dependent upon local rather than macroscopic properties of the system. Therefore, the starting point should be based on statistical mechanical methods. For many years it has been believed that certain thermodynamic quantities, such as the standard free energy (or enthalpy or entropy) of solution, may be used as measures of the corresponding functions of solvation of a given solute in a given solvent. I first challenged this notion in a paper published in 1978 based on analysis at the molecular level. During the past ten years, I have introduced several new quantities which, in my opinion, should replace the conventional measures of solvation thermodynamics. To avoid confusing the new quantities with those referred to conventionally in the literature as standard quantities of solvation, I called these "nonconventional," "generalized," and "local" standard quantities and attempted to point out the advantages of these new quantities over the conventional ones.
Download or read book Molecular Spectroscopy and Quantum Dynamics written by Roberto Marquardt and published by Elsevier. This book was released on 2020-09-18 with total page 376 pages. Available in PDF, EPUB and Kindle. Book excerpt: Molecular Spectroscopy and Quantum Dynamics, an exciting new work edited by Professors Martin Quack and Roberto Marquardt, contains comprehensive information on the current state-of-the-art experimental and theoretical methods and techniques used to unravel ultra-fast phenomena in atoms, molecules and condensed matter, along with future perspectives on the field. - Contains new insights into the quantum dynamics and spectroscopy of electronic and nuclear motion - Presents the most recent developments in the detection and interpretation of ultra-fast phenomena - Includes a discussion of the importance of these phenomena for the understanding of chemical reaction dynamics and kinetics in relation to molecular spectra and structure
Download or read book Geochemistry of Non Traditional Stable Isotopes written by Clark M. Johnson and published by Walter de Gruyter GmbH & Co KG. This book was released on 2018-12-17 with total page 472 pages. Available in PDF, EPUB and Kindle. Book excerpt: The goal for Volume 55 of Reviews in Mineralogy and Geochemistry was to bring together a summary of the isotope geochemistry of non-traditional stable isotope systems as is known through 2003 for those elements that have been studied in some detail, and which have a variety of geochemical properties. In addition, recognizing that many of these elements are of interest to workers who are outside the traditional stable isotope fields, we felt it was important to include discussions on the broad isotopic variations that occur in the solar system, theoretical approaches to calculating isotopic fractionations, and the variety of analytical methods that are in use. We hope, therefore, that this volume proves to be useful to not only the isotope specialist, but to others who are interested in the contributions that these non-traditional stable isotopes may make toward understanding geochemical and biological cycles. The review chapters in this volume were the basis for a two-day short course on nontraditional stable isotopes held prior (May 15-16, 2004) to the spring AGU/CGU Meeting in Montreal, Canada.
