Computational Molecular Spectroscopy PDF Download
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| Author | : Per Jensen |
| Publisher | : John Wiley & Sons |
| Total Pages | : 696 |
| Release | : 2000-11-02 |
| Genre | : Mathematics |
| ISBN | : |
Download Computational Molecular Spectroscopy Book in PDF, ePub and Kindle
This book describes the use of modern computational methods in predicting high resolution molecular spectra, which allows the experimental spectroscopist to interpret and assign real spectra. * Offers a comprehensive treatment of modern computation techniques. * Provides a collection of material from different areas of theoretical chemistry and physics. * Bridges the gap between traditional quantum chemistry and experimental molecular spectroscopy.
| Author | : Rui Fausto |
| Publisher | : Springer Science & Business Media |
| Total Pages | : 458 |
| Release | : 2012-12-06 |
| Genre | : Science |
| ISBN | : 9401119740 |
Download Recent Experimental and Computational Advances in Molecular Spectroscopy Book in PDF, ePub and Kindle
Both molecular spectroscopy and computational chemistry have witnessed rapid significant progresses in recent years. On the one hand, it is nowadays possible to compute, to quite a reasonable degree of accuracy, almost all fundamental spectroscopic properties for small molecular systems. The theoretical approach is now properly considered to be of fundamental importance in attaining a high degree of understanding of spectroscopic information. Moreover, it may be also a great help in designing and planning experiments. On the other hand, new and very powerful experimental techniques have been developed. This book combines an advanced teaching standpoint with an emphasis on the interplay between theoretical and experimental molecular spectroscopy. It covers a wide range of topics (such as molecular dynamics and reactivity, conformational analysis, hydrogen bonding and solvent effects, spectroscopy of excited states, complex spectra interpretation and simulation, software development and biochemical applications of molecular spectroscopy) and considers a large variety of molecular spectroscopic techniques, either from an experimental or from a theoretical perspective. (short text) This book combines an advanced teaching standpoint with an emphasis on the interplay between theoretical and experimental molecular spectroscopy. It covers a wide range of topics (such as molecular dynamics and reactivity, conformational analysis, hydrogen bonding and solvent effects, spectroscopy of excited states, complex spectra interpretation and simulation, software development and biochemical applications of molecular spectroscopy) and considers a large variety of molecular spectroscopic techniques either from an experimental or from a theoretical perspective.
| Author | : Jörg Grunenberg |
| Publisher | : John Wiley & Sons |
| Total Pages | : 421 |
| Release | : 2011-08-24 |
| Genre | : Science |
| ISBN | : 3527643621 |
Download Computational Spectroscopy Book in PDF, ePub and Kindle
Unique in its comprehensive coverage of not only theoretical methods but also applications in computational spectroscopy, this ready reference and handbook compiles the developments made over the last few years, from single molecule studies to the simulation of clusters and the solid state, from organic molecules to complex inorganic systems and from basic research to commercial applications in the area of environment relevance. In so doing, it covers a multitude of apparatus-driven technologies, starting with the common and traditional spectroscopic methods, more recent developments (THz), as well as rather unusual methodologies and systems, such as the prediction of parity violation, rare gas HI complexes or theoretical spectroscopy of the transition state. With its summarized results of so many different disciplines, this timely book will be of interest to newcomers to this hot topic while equally informing experts about developments in neighboring fields.
| Author | : Andrzej Koleżyński |
| Publisher | : Springer |
| Total Pages | : 524 |
| Release | : 2018-10-10 |
| Genre | : Science |
| ISBN | : 3030013553 |
Download Molecular Spectroscopy—Experiment and Theory Book in PDF, ePub and Kindle
This book reviews various aspects of molecular spectroscopy and its application in materials science, chemistry, physics, medicine, the arts and the earth sciences. Written by an international group of recognized experts, it examines how complementary applications of diverse spectroscopic methods can be used to study the structure and properties of different materials. The chapters cover the whole spectrum of topics related to theoretical and computational methods, as well as the practical application of spectroscopic techniques to study the structure and dynamics of molecular systems, solid-state crystalline and amorphous materials, surfaces and interfaces, and biological systems. As such, the book offers an invaluable resource for all researchers and postgraduate students interested in the latest developments in the theory, experimentation, measurement and application of various advanced spectroscopic methods for the study of materials.
| Author | : Rui Fausto |
| Publisher | : |
| Total Pages | : 480 |
| Release | : 1993-07-31 |
| Genre | : |
| ISBN | : 9789401119757 |
Download Recent Experimental and Computational Advances in Molecular Spectroscopy Book in PDF, ePub and Kindle
| Author | : Yukihiro Ozaki |
| Publisher | : John Wiley & Sons |
| Total Pages | : 448 |
| Release | : 2019-04-23 |
| Genre | : Technology & Engineering |
| ISBN | : 3527814620 |
Download Molecular Spectroscopy Book in PDF, ePub and Kindle
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.
| Author | : K.N. Rao |
| Publisher | : Elsevier |
| Total Pages | : 467 |
| Release | : 2012-12-02 |
| Genre | : Science |
| ISBN | : 0323149324 |
Download Molecular Spectroscopy: Modern Research V3 Book in PDF, ePub and Kindle
Molecular Spectroscopy: Modern Research, Volume III is a collection of papers presented at the 40th Annual Molecular Spectroscopy Symposium, held at the Ohio State University. The contributors of this seven-chapter text cover the significant advances in molecular spectroscopic research and their application in chemistry. Chapters 1 and 2 discuss first the higher-order vibration-rotation interactions in molecules and then present formulas and an insight into the direction being taken in theoretical pursuits. Chapter 3 provides an extensive compilation of published intensity and collision broadening parameters derived from infrared spectra. This chapter also contains a detailed discussion using consistent notation of some of the methods commonly applied to extract such information from laboratory spectra. Chapter 4 examines a variety of laser systems and their application in investigations involving triatomic free radicals and ions, while chapter 5 considers the developments in the microwave spectroscopic studies on nonpolar molecules when their symmetry is reduced by isotopic substitution. Chapter 6 emphasizes the quasi-linear molecular problem to develop an appreciation of the symptoms of quasi-linearity and theoretical treatments thereof. This chapter also examines the increasing role of highly resolved spectra in the interpretation of various large-amplitude motions in molecules. Lastly, Chapter 7 describes the electric multipolar moments of hydrogen and its isotopes. Spectroscopists, chemists, and researchers will find this work invaluable.
| Author | : Yukihiro Ozaki |
| Publisher | : John Wiley & Sons |
| Total Pages | : 636 |
| Release | : 2019-09-03 |
| Genre | : Technology & Engineering |
| ISBN | : 3527344616 |
Download Molecular Spectroscopy, 2 Volume Set Book in PDF, ePub and Kindle
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.
| Author | : Piotr Piecuch |
| Publisher | : Springer Science & Business Media |
| Total Pages | : 447 |
| Release | : 2009-09-30 |
| Genre | : Science |
| ISBN | : 9048125960 |
Download Advances in the Theory of Atomic and Molecular Systems Book in PDF, ePub and Kindle
Advances in the Theory of Atomic and Molecular Systems, is a collection of contributions presenting recent theoretical and computational developments that provide new insights into the structure, properties, and behavior of a variety of atomic and molecular systems. This volume (subtitled: Conceptual and Computational Advances in Quantum Chemistry) focuses on electronic structure theory and its foundations. This volume is an invaluable resource for faculty, graduate students, and researchers interested in theoretical and computational chemistry and physics, physical chemistry and chemical physics, molecular spectroscopy, and related areas of science and engineering.
| Author | : Martin Quack |
| Publisher | : John Wiley & Sons |
| Total Pages | : 2236 |
| Release | : 2011-09-26 |
| Genre | : Science |
| ISBN | : 0470066539 |
Download Handbook of High-resolution Spectroscopy Book in PDF, ePub and Kindle
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
