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Recent Experimental And Computational Advances In Molecular Spectroscopy
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Book Synopsis Recent Experimental and Computational Advances in Molecular Spectroscopy by : Rui Fausto
Download or read book Recent Experimental and Computational Advances in Molecular Spectroscopy written by Rui Fausto and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 458 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Book Synopsis Reviews in Computational Chemistry, Volume 17 by : Kenny B. Lipkowitz
Download or read book Reviews in Computational Chemistry, Volume 17 written by Kenny B. Lipkowitz and published by John Wiley & Sons. This book was released on 2003-05-08 with total page 431 pages. Available in PDF, EPUB and Kindle. Book excerpt: Computational chemistry is increasingly used in most areas of molecular science including organic, inorganic, medicinal, biological, physical, and analytical chemistry. Researchers in these fields who do molecular modelling need to understand and stay current with recent developments. This volume, like those prior to it, features chapters by experts in various fields of computational chemistry. Two chapters focus on molecular docking, one of which relates to drug discovery and cheminformatics and the other to proteomics. In addition, this volume contains tutorials on spin-orbit coupling and cellular automata modeling, as well as an extensive bibliography of computational chemistry books. FROM REVIEWS OF THE SERIES "Reviews in Computational Chemistry remains the most valuable reference to methods and techniques in computational chemistry."—JOURNAL OF MOLECULAR GRAPHICS AND MODELLING "One cannot generally do better than to try to find an appropriate article in the highly successful Reviews in Computational Chemistry. The basic philosophy of the editors seems to be to help the authors produce chapters that are complete, accurate, clear, and accessible to experimentalists (in particular) and other nonspecialists (in general)."—JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
Book Synopsis Recent Experimental and Computational Advances in Molecular Spectroscopy by : Rui Fausto
Download or read book Recent Experimental and Computational Advances in Molecular Spectroscopy written by Rui Fausto and published by . This book was released on 1993-07-31 with total page 480 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Advances in Quantum Chemistry written by and published by Elsevier. This book was released on 2005-12-20 with total page 350 pages. Available in PDF, EPUB and Kindle. Book excerpt: Advances in Quantum Chemistry presents surveys of current developments in this rapidly developing field that falls between the historically established areas of mathematics, physics, chemistry, and biology. With invited reviews written by leading international researchers, each presenting new results, it provides a single vehicle for following progress in this interdisciplinary area. This volume continues the tradition with high quality and thorough reviews of various aspects of quantum chemistry. It contains a variety of topics on the use of quantum mechanical methods to calculate molecular properties including response properties. Linear and non-linear response methods have been developed and implemented for most of the approximate wave functions used in quantum chemistry, giving a range of computational methods of varying cost and accuracy. Thus it is presently possible to calculate for example excitation energies, linear and nonlinear optical properties, one- and multi-photon transition rates, and magnetically induced transition moments for a wide range of molecules and target accuracies. These calculations aid in the interpretation of a wide range of spectroscopy including electron spin resonance, nuclear magnetic resonance and magnetic circular dichroism and general laser spectroscopy.
Book Synopsis Density Functional Theory by : Ponnadurai Ramasami
Download or read book Density Functional Theory written by Ponnadurai Ramasami and published by Walter de Gruyter GmbH & Co KG. This book was released on 2018-12-17 with total page 248 pages. Available in PDF, EPUB and Kindle. Book excerpt: DFT methods are widely used in a broad range of disciplines to investigate many body systems. This book provides an overview on contemporary applications of the Density Functional Theory in various fields as computational chemistry, physics or engineering.
Book Synopsis Frontiers of Molecular Spectroscopy by : Jaan Laane
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
Book Synopsis Spectroscopic Properties of Inorganic and Organometallic Compounds by : G Davidson
Download or read book Spectroscopic Properties of Inorganic and Organometallic Compounds written by G Davidson and published by Royal Society of Chemistry. This book was released on 2007-10-31 with total page 468 pages. Available in PDF, EPUB and Kindle. Book excerpt: Spectroscopic Properties of Inorganic and Organometallic Compounds provides a unique source of information on an important area of chemistry. Divided into sections mainly according to the particular spectroscopic technique used, coverage in each volume includes: NMR (with reference to stereochemistry, dynamic systems, paramagnetic complexes, solid state NMR and Groups 13-18); nuclear quadrupole resonance spectroscopy; vibrational spectroscopy of main group and transition element compounds and coordinated ligands; and electron diffraction. Reflecting the growing volume of published work in this field, researchers will find this Specialist Periodical Report an invaluable source of information on current methods and applications. Specialist Periodical Reports provide systematic and detailed review coverage in major areas of chemical research. Compiled by teams of leading experts in their specialist fields, this series is designed to help the chemistry community keep current with the latest developments in their field. Each volume in the series is published either annually or biennially and is a superb reference point for researchers. www.rsc.org/spr
Book Synopsis Global Optimization in Action by : János D. Pintér
Download or read book Global Optimization in Action written by János D. Pintér and published by Springer Science & Business Media. This book was released on 1995-11-30 with total page 584 pages. Available in PDF, EPUB and Kindle. Book excerpt: In science, engineering and economics, decision problems are frequently modelled by optimizing the value of a (primary) objective function under stated feasibility constraints. In many cases of practical relevance, the optimization problem structure does not warrant the global optimality of local solutions; hence, it is natural to search for the globally best solution(s). Global Optimization in Action provides a comprehensive discussion of adaptive partition strategies to solve global optimization problems under very general structural requirements. A unified approach to numerous known algorithms makes possible straightforward generalizations and extensions, leading to efficient computer-based implementations. A considerable part of the book is devoted to applications, including some generic problems from numerical analysis, and several case studies in environmental systems analysis and management. The book is essentially self-contained and is based on the author's research, in cooperation (on applications) with a number of colleagues. Audience: Professors, students, researchers and other professionals in the fields of operations research, management science, industrial and applied mathematics, computer science, engineering, economics and the environmental sciences.
Book Synopsis Green Industrial Applications of Ionic Liquids by : Robin D. Rogers
Download or read book Green Industrial Applications of Ionic Liquids written by Robin D. Rogers and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 563 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book contains the lecture notes for the NATO Advanced Research Workshop on th Green Industrial Applications of Ionic Liquids held April 12th_16 , 2000 in Heraklion, Crete, Greece. This was the fIrst international meeting devoted to research in the area of ionic liquids (salts with melting points below 100 0c), and was intended to explore the promise of ionic liquids as well as to set a research agenda for the fIeld. It was the fIrst international meeting dedicated to the study and application of ionic liquids as solvents, and forty-one scientists and engineers from academia, industry, and government research laboratories (as well as six industry observers and four student assistants) met to discuss the current and future status of the application of ionic liquids to new green industrial technologies. It was immediately clear that the number of organic chemists and engineers working in the fIeld needed to be increased. It was also clear that the declining interest in high temperature molten salts and subsequent increase in low melting ionic liquid solvents had not yet taken hold in Eastern Europe. Participants from NATO Partner Countries contributed signifIcant expertise in high temperature molten salts and were able to take back a new awareness and interest in ionic liquid solvents.
Book Synopsis Computational Studies by : Ambrish Kumar Srivastava
Download or read book Computational Studies written by Ambrish Kumar Srivastava and published by CRC Press. This book was released on 2024-08-06 with total page 293 pages. Available in PDF, EPUB and Kindle. Book excerpt: The book covers a diverse range of topics based on computational studies, including modeling and simulations based on quantum chemical studies and molecular dynamics (MD) simulations. It contains quantum chemical studies on several molecules, including biologically relevant molecules and liquid crystals and various aspects of superatomic clusters including superalkalis and superhalogens. It gives an overview of MD simulations and their applications on biomolecular systems such as HIV-1 protease and integrase. Features: Includes first principle methods, density functional theory, as well as molecular dynamics simulations. Explores quantum chemical studies on several molecules. Gives readers an overview of the power of computation. Discusses superatomic clusters, superalkalis, and superhalogens. Covers themes from molecules, clusters, materials, as well as biophysical systems. This book is aimed at researchers and graduate students in materials science and computational and theoretical chemistry.
Book Synopsis Principles and Applications of Quantum Chemistry by : V.P. Gupta
Download or read book Principles and Applications of Quantum Chemistry written by V.P. Gupta and published by Academic Press. This book was released on 2015-10-15 with total page 480 pages. Available in PDF, EPUB and Kindle. Book excerpt: Principles and Applications of Quantum Chemistry offers clear and simple coverage based on the author's extensive teaching at advanced universities around the globe. Where needed, derivations are detailed in an easy-to-follow manner so that you will understand the physical and mathematical aspects of quantum chemistry and molecular electronic structure. Building on this foundation, this book then explores applications, using illustrative examples to demonstrate the use of quantum chemical tools in research problems. Each chapter also uses innovative problems and bibliographic references to guide you, and throughout the book chapters cover important advances in the field including: Density functional theory (DFT) and time-dependent DFT (TD-DFT), characterization of chemical reactions, prediction of molecular geometry, molecular electrostatic potential, and quantum theory of atoms in molecules. - Simplified mathematical content and derivations for reader understanding - Useful overview of advances in the field such as Density Functional Theory (DFT) and Time-Dependent DFT (TD-DFT) - Accessible level for students and researchers interested in the use of quantum chemistry tools
Book Synopsis Handbook of Polymer Research by : Richard Arthur Pethrick
Download or read book Handbook of Polymer Research written by Richard Arthur Pethrick and published by Nova Publishers. This book was released on 2007 with total page 482 pages. Available in PDF, EPUB and Kindle. Book excerpt: Handbook of Polymer Research - Monomers. Oligomers, Polymers & Composites
Book Synopsis The Chemistry of Peroxides, Parts 1 and 2, 2 Volume Set by :
Download or read book The Chemistry of Peroxides, Parts 1 and 2, 2 Volume Set written by and published by John Wiley & Sons. This book was released on 2007-02-06 with total page 1518 pages. Available in PDF, EPUB and Kindle. Book excerpt: The Chemistry of Peroxides is a new volume in the Chemistry of Functional Groups series. This series covers all aspects of organic chemistry with each volume containing chapters on: General and theoretical aspects Computational approaches Thermodynamics and kinetics NMR and ESR Mass Spectrometry Spectroscopies Analytical aspects Reaction mechanisms Syntheses Biological effects Environmental effects Industrial applications Edited by Zvi Rappoport, this series provides outstanding reviews on all aspects of functional groups in analytical, physical, synthetic and applied chemistry.
Book Synopsis Computational Chemistry F.E.C.S. Conference by : Francesco Bernardi
Download or read book Computational Chemistry F.E.C.S. Conference written by Francesco Bernardi and published by American Institute of Physics. This book was released on 1998-04-15 with total page 888 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Molecular Spectroscopy—Experiment and Theory by : Andrzej Koleżyński
Download or read book Molecular Spectroscopy—Experiment and Theory written by Andrzej Koleżyński and published by Springer. This book was released on 2018-10-10 with total page 529 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Book Synopsis Frontiers and Advances in Molecular Spectroscopy by : Jaan Laane
Download or read book Frontiers and Advances in Molecular Spectroscopy written by Jaan Laane and published by Elsevier. This book was released on 2017-11-13 with total page 788 pages. Available in PDF, EPUB and Kindle. Book excerpt: Frontiers and Advances in Molecular Spectroscopy once again brings together the most eminent scientists from around the world to describe their work at the cutting-edge of molecular spectroscopy. 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. Going far beyond the topics discussed in Jaan Laane's earlier book on the subject, these chapters describe new methodologies and applications, instrumental developments and theory, which are taking spectroscopy into still new frontiers. The robust range of topics once again demonstrates the wide utility of spectroscopic techniques. New topics include ultrafast spectroscopy of the transition state, SERS/far-uv spectroscopy, femtosecond coherent anti-Stokes Raman spectroscopy, high-resolution laser induced fluorescence spectroscopy, Raman spectroscopy and biosensors, vibrational optical activity, ultrafast two-dimensional spectroscopy, biology with x-ray lasers, isomerization dynamics and hydrogen bonding, single molecule imaging, spectra of intermediates, matrix isolation spectroscopy and more. - Covers spectroscopic investigations on the cutting edge of science - Written and edited by leading experts in their respective fields - Allows researchers to access a broad range of essential modern spectroscopy content from a single source rather than wading through hundreds of scattered journal articles
Book Synopsis Modern Polymer Spectroscopy by : Giuseppe Zerbi
Download or read book Modern Polymer Spectroscopy written by Giuseppe Zerbi and published by John Wiley & Sons. This book was released on 2008-07-11 with total page 303 pages. Available in PDF, EPUB and Kindle. Book excerpt: Modern Polymer Spectroscopy provides a 'guided tour' to the state of the art in polymer analysis by vibrational spectroscopy. Five renowned experts describe new experimental and theoretical techniques. Areas of focus include: - two-dimensional infrared spectroscopy - segmental mobility of liquid crystalline polymers under external fields - dynamics and structure of polymers with chemical and structural disorder - spectra of polyconjugated conducting polymers - theoretical calculations on biopolymers. Readers learn experimental techniques and theoretical tools essential for obtaining more valuable information from their vibrational spectra, in order too solve problems that would otherwise be impossible. An essential reference for all professionals who need to keep abreast at the latest developments in the field, graduate students in polymer science, material science and the biosciences using spectroscopic techniques will profit from the wealth of information provided in this state-of-the-art guide.
