Applications of Numerical Methods in Molecular Spectroscopy PDF Download
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Author: Peter Pelikan
Publisher: CRC Press
ISBN: 100009894X
Category : Science
Languages : en
Pages : 368
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Book Description
Applications of Numerical Methods in Molecular Spectroscopy provides a mathematical background, theoretical perspective, and review of spectral data processing methods. The book discusses methods of complex spectral profile separation into bands, factor analysis methods, methods of quantitative analysis in molecular spectroscopy and reflectance spectroscopy, and new data processing methods. Mathematical methods in special areas of molecular spectroscopy, such as color science, electron spin resonance, and nuclear magnetic resonance spectroscopies are also covered. The book will benefit researchers and postgraduate students in fields of chemistry, physics, and biology.
Author: Peter Pelikan
Publisher: CRC Press
ISBN: 100009894X
Category : Science
Languages : en
Pages : 368
Get Book Here
Book Description
Applications of Numerical Methods in Molecular Spectroscopy provides a mathematical background, theoretical perspective, and review of spectral data processing methods. The book discusses methods of complex spectral profile separation into bands, factor analysis methods, methods of quantitative analysis in molecular spectroscopy and reflectance spectroscopy, and new data processing methods. Mathematical methods in special areas of molecular spectroscopy, such as color science, electron spin resonance, and nuclear magnetic resonance spectroscopies are also covered. The book will benefit researchers and postgraduate students in fields of chemistry, physics, and biology.
Author: Peter Pelikan
Publisher: CRC Press
ISBN: 1000142078
Category : Science
Languages : en
Pages : 360
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Book Description
Applications of Numerical Methods in Molecular Spectroscopy provides a mathematical background, theoretical perspective, and review of spectral data processing methods. The book discusses methods of complex spectral profile separation into bands, factor analysis methods, methods of quantitative analysis in molecular spectroscopy and reflectance spectroscopy, and new data processing methods. Mathematical methods in special areas of molecular spectroscopy, such as color science, electron spin resonance, and nuclear magnetic resonance spectroscopies are also covered. The book will benefit researchers and postgraduate students in fields of chemistry, physics, and biology.
Author: Andrzej Koleżyński
Publisher: Springer
ISBN: 3030013553
Category : Science
Languages : en
Pages : 524
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Book Description
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: Springer Science & Business Media
ISBN: 9401119740
Category : Science
Languages : en
Pages : 458
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Book Description
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: Ansgar Iring Pausch
Publisher:
ISBN:
Category :
Languages : en
Pages : 0
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Book Description
Author: Jörg Grunenberg
Publisher: John Wiley & Sons
ISBN: 3527643621
Category : Science
Languages : en
Pages : 421
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Book Description
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: David Gottlieb
Publisher: SIAM
ISBN: 0898710235
Category : Technology & Engineering
Languages : en
Pages : 167
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Book Description
A unified discussion of the formulation and analysis of special methods of mixed initial boundary-value problems. The focus is on the development of a new mathematical theory that explains why and how well spectral methods work. Included are interesting extensions of the classical numerical analysis.
Author: Yanfei Wang
Publisher: Springer Science & Business Media
ISBN: 3642137423
Category : Mathematics
Languages : en
Pages : 354
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Book Description
"Optimization and Regularization for Computational Inverse Problems and Applications" focuses on advances in inversion theory and recent developments with practical applications, particularly emphasizing the combination of optimization and regularization for solving inverse problems. This book covers both the methods, including standard regularization theory, Fejer processes for linear and nonlinear problems, the balancing principle, extrapolated regularization, nonstandard regularization, nonlinear gradient method, the nonmonotone gradient method, subspace method and Lie group method; and the practical applications, such as the reconstruction problem for inverse scattering, molecular spectra data processing, quantitative remote sensing inversion, seismic inversion using the Lie group method, and the gravitational lensing problem. Scientists, researchers and engineers, as well as graduate students engaged in applied mathematics, engineering, geophysics, medical science, image processing, remote sensing and atmospheric science will benefit from this book. Dr. Yanfei Wang is a Professor at the Institute of Geology and Geophysics, Chinese Academy of Sciences, China. Dr. Sc. Anatoly G. Yagola is a Professor and Assistant Dean of the Physical Faculty, Lomonosov Moscow State University, Russia. Dr. Changchun Yang is a Professor and Vice Director of the Institute of Geology and Geophysics, Chinese Academy of Sciences, China.
Author:
Publisher:
ISBN:
Category : American literature
Languages : en
Pages : 2328
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Book Description
A world list of books in the English language.
Author: Per Jensen
Publisher: John Wiley & Sons
ISBN:
Category : Mathematics
Languages : en
Pages : 696
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Book Description
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.
