Two Dimensional Infrared Spectroscopy And Computational Modeling

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Computational Modeling of Biological Systems

Author : Nikolay V Dokholyan
Publisher : Springer Science & Business Media
ISBN 13 : 1461421454
Total Pages : 360 pages
Book Rating : 4.4/5 (614 download)

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Book Synopsis Computational Modeling of Biological Systems by : Nikolay V Dokholyan

Download or read book Computational Modeling of Biological Systems written by Nikolay V Dokholyan and published by Springer Science & Business Media. This book was released on 2012-02-12 with total page 360 pages. Available in PDF, EPUB and Kindle. Book excerpt: Computational modeling is emerging as a powerful new approach to study and manipulate biological systems. Multiple methods have been developed to model, visualize, and rationally alter systems at various length scales, starting from molecular modeling and design at atomic resolution to cellular pathways modeling and analysis. Higher time and length scale processes, such as molecular evolution, have also greatly benefited from new breeds of computational approaches. This book provides an overview of the established computational methods used for modeling biologically and medically relevant systems.

Two-Dimensional Correlation Spectroscopy

Author : Isao Noda
Publisher : John Wiley & Sons
ISBN 13 : 0470012390
Total Pages : 310 pages
Book Rating : 4.4/5 (7 download)

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Book Synopsis Two-Dimensional Correlation Spectroscopy by : Isao Noda

Download or read book Two-Dimensional Correlation Spectroscopy written by Isao Noda and published by John Wiley & Sons. This book was released on 2005-01-14 with total page 310 pages. Available in PDF, EPUB and Kindle. Book excerpt: A valuable tool for individuals using correlation spectroscopy and those that want to start using this technique. Noda is known as the founder of this technique, and together with Ozaki, they are the two biggest names in the area First book on 2D vibrational and optical spectroscopy - single source of information, pulling together literature papers and reveiws Growing number of applications of this methodology - book now needed for people thinking of using this technique Limitations and benefits discussed and comparisons made with 2D NMR Discusses 20 optical and vibrational spectroscopy (IR, Raman, UV, Visible)

Biological Water

Author : Gertz I. Likhtenshtein
Publisher : Springer Nature
ISBN 13 : 3030825035
Total Pages : 523 pages
Book Rating : 4.0/5 (38 download)

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Book Synopsis Biological Water by : Gertz I. Likhtenshtein

Download or read book Biological Water written by Gertz I. Likhtenshtein and published by Springer Nature. This book was released on 2021-10-21 with total page 523 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book embraces all physiochemical aspects of the structure and molecular dynamics of water, focusing on its role in biological objects, e.g. living cells and tissue, and in the formation of functionally active structures of biological molecules and their ensembles. Water is the single most abundant chemical found in all living things. It offers a detailed look into the latest modern physical methods for studying the molecular structure and dynamics of the water and provides a critical analysis of the existing literature data on the properties of water in biological objects. Water as a chemical reagent and as a medium for the formation of conditions for enzymatic catalysis is a core focus of this book. Although well suited for active researchers, the book as a whole, as well as each chapter on its own, can be used as fundamental reference material for graduate and undergraduate students throughout chemistry, physics, biophysics and biomedicine.

Two-Dimensional Optical Spectroscopy

Author : Minhaeng Cho
Publisher : CRC Press
ISBN 13 : 1420084305
Total Pages : 396 pages
Book Rating : 4.4/5 (2 download)

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Book Synopsis Two-Dimensional Optical Spectroscopy by : Minhaeng Cho

Download or read book Two-Dimensional Optical Spectroscopy written by Minhaeng Cho and published by CRC Press. This book was released on 2009-06-16 with total page 396 pages. Available in PDF, EPUB and Kindle. Book excerpt: Two-Dimensional Optical Spectroscopy discusses the principles and applications of newly emerging two-dimensional vibrational and optical spectroscopy techniques. It provides a detailed account of basic theory required for an understanding of two-dimensional vibrational and electronic spectroscopy. It also bridges the gap between the formal developm

Ultrafast Infrared Vibrational Spectroscopy

Author : Michael D. Fayer
Publisher : CRC Press
ISBN 13 : 1466510137
Total Pages : 491 pages
Book Rating : 4.4/5 (665 download)

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Book Synopsis Ultrafast Infrared Vibrational Spectroscopy by : Michael D. Fayer

Download or read book Ultrafast Infrared Vibrational Spectroscopy written by Michael D. Fayer and published by CRC Press. This book was released on 2013-03-04 with total page 491 pages. Available in PDF, EPUB and Kindle. Book excerpt: The advent of laser-based sources of ultrafast infrared pulses has extended the study of very fast molecular dynamics to the observation of processes manifested through their effects on the vibrations of molecules. In addition, non-linear infrared spectroscopic techniques make it possible to examine intra- and intermolecular interactions and how such interactions evolve on very fast time scales, but also in some instances on very slow time scales. Ultrafast Infrared Vibrational Spectroscopy is an advanced overview of the field of ultrafast infrared vibrational spectroscopy based on the scientific research of the leading figures in the field. The book discusses experimental and theoretical topics reflecting the latest accomplishments and understanding of ultrafast infrared vibrational spectroscopy. Each chapter provides background, details of methods, and explication of a topic of current research interest. Experimental and theoretical studies cover topics as diverse as the dynamics of water and the dynamics and structure of biological molecules. Methods covered include vibrational echo chemical exchange spectroscopy, IR-Raman spectroscopy, time resolved sum frequency generation, and 2D IR spectroscopy. Edited by a recognized leader in the field and with contributions from top researchers, including experimentalists and theoreticians, this book presents the latest research methods and results. It will serve as an excellent resource for those new to the field, experts in the field, and individuals who want to gain an understanding of particular methods and research topics.

Extending Two-dimensional Infrared Spectroscopy to Study DNA Structure with Native and Non-native Infrared Probes

Author : Amber T. Krummel
Publisher :
ISBN 13 :
Total Pages : 286 pages
Book Rating : 4.:/5 (89 download)

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Book Synopsis Extending Two-dimensional Infrared Spectroscopy to Study DNA Structure with Native and Non-native Infrared Probes by : Amber T. Krummel

Download or read book Extending Two-dimensional Infrared Spectroscopy to Study DNA Structure with Native and Non-native Infrared Probes written by Amber T. Krummel and published by . This book was released on 2007 with total page 286 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Quantitative Infrared Spectroscopy for Understanding of a Condensed Matter

Author : Takeshi Hasegawa
Publisher : Springer
ISBN 13 : 4431564934
Total Pages : 207 pages
Book Rating : 4.4/5 (315 download)

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Book Synopsis Quantitative Infrared Spectroscopy for Understanding of a Condensed Matter by : Takeshi Hasegawa

Download or read book Quantitative Infrared Spectroscopy for Understanding of a Condensed Matter written by Takeshi Hasegawa and published by Springer. This book was released on 2017-04-25 with total page 207 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book is intended to provide a course of infrared spectroscopy for quantitative analysis, covering both bulk matter and surface/interface analyses. Although the technology of Fourier transform infrared (FT-IR) spectroscopy was established many years ago, the full potential of infrared spectroscopy has not been properly recognized, and its intrinsic potential is still put aside. FT-IR has outstandingly useful characteristics, however, represented by the high sensitivity for monolayer analysis, highly reliable quantitativity, and reproducibility, which are quite suitable for surface and interface analysis. Because infrared spectroscopy provides rich chemical information—for example, hydrogen bonding, molecular conformation, orientation, aggregation, and crystallinity—FT-IR should be the first choice of chemical analysis in a laboratory. In this book, various analytical techniques and basic knowledge of infrared spectroscopy are described in a uniform manner. In particular, techniques for quantitative understanding are particularly focused for the reader’s convenience.

Computational Modeling in Biomechanics

Author : Suvranu De
Publisher : Springer Science & Business Media
ISBN 13 : 9048135753
Total Pages : 580 pages
Book Rating : 4.0/5 (481 download)

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Book Synopsis Computational Modeling in Biomechanics by : Suvranu De

Download or read book Computational Modeling in Biomechanics written by Suvranu De and published by Springer Science & Business Media. This book was released on 2010-03-10 with total page 580 pages. Available in PDF, EPUB and Kindle. Book excerpt: Availability of advanced computational technology has fundamentally altered the investigative paradigm in the field of biomechanics. Armed with sophisticated computational tools, researchers are seeking answers to fundamental questions by exploring complex biomechanical phenomena at the molecular, cellular, tissue and organ levels. The computational armamentarium includes such diverse tools as the ab initio quantum mechanical and molecular dynamics methods at the atomistic scales and the finite element, boundary element, meshfree as well as immersed boundary and lattice-Boltzmann methods at the continuum scales. Multiscale methods that link various scales are also being developed. While most applications require forward analysis, e.g., finding deformations and stresses as a result of loading, others involve determination of constitutive parameters based on tissue imaging and inverse analysis. This book provides a glimpse of the diverse and important roles that modern computational technology is playing in various areas of biomechanics including biofluids and mass transfer, cardiovascular mechanics, musculoskeletal mechanics, soft tissue mechanics, and biomolecular mechanics.

Concepts and Methods of 2D Infrared Spectroscopy

Author : Peter Hamm
Publisher : Cambridge University Press
ISBN 13 : 1139497073
Total Pages : 297 pages
Book Rating : 4.1/5 (394 download)

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Book Synopsis Concepts and Methods of 2D Infrared Spectroscopy by : Peter Hamm

Download or read book Concepts and Methods of 2D Infrared Spectroscopy written by Peter Hamm and published by Cambridge University Press. This book was released on 2011-02-24 with total page 297 pages. Available in PDF, EPUB and Kindle. Book excerpt: 2D infrared (IR) spectroscopy is a cutting-edge technique, with applications in subjects as diverse as the energy sciences, biophysics and physical chemistry. This book introduces the essential concepts of 2D IR spectroscopy step-by-step to build an intuitive and in-depth understanding of the method. This unique book introduces the mathematical formalism in a simple manner, examines the design considerations for implementing the methods in the laboratory, and contains working computer code to simulate 2D IR spectra and exercises to illustrate involved concepts. Readers will learn how to accurately interpret 2D IR spectra, design their own spectrometer and invent their own pulse sequences. It is an excellent starting point for graduate students and researchers new to this exciting field. Computer codes and answers to the exercises can be downloaded from the authors' website, available at www.cambridge.org/9781107000056.

Advances in Near Infrared Spectroscopy and Related Computational Methods

Author : Christian Huck
Publisher : MDPI
ISBN 13 : 303928052X
Total Pages : 496 pages
Book Rating : 4.0/5 (392 download)

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Book Synopsis Advances in Near Infrared Spectroscopy and Related Computational Methods by : Christian Huck

Download or read book Advances in Near Infrared Spectroscopy and Related Computational Methods written by Christian Huck and published by MDPI. This book was released on 2020-01-03 with total page 496 pages. Available in PDF, EPUB and Kindle. Book excerpt: In the last few decades, near-infrared (NIR) spectroscopy has distinguished itself as one of the most rapidly advancing spectroscopic techniques. Mainly known as an analytical tool useful for sample characterization and content quantification, NIR spectroscopy is essential in various other fields, e.g. NIR imaging techniques in biophotonics, medical applications or used for characterization of food products. Its contribution in basic science and physical chemistry should be noted as well, e.g. in exploration of the nature of molecular vibrations or intermolecular interactions. One of the current development trends involves the miniaturization and simplification of instrumentation, creating prospects for the spread of NIR spectrometers at a consumer level in the form of smartphone attachments—a breakthrough not yet accomplished by any other analytical technique. A growing diversity in the related methods and applications has led to a dispersion of these contributions among disparate scientific communities. The aim of this Special Issue was to bring together the communities that may perceive NIR spectroscopy from different perspectives. It resulted in 30 contributions presenting the latest advances in the methodologies essential in near-infrared spectroscopy in a variety of applications.

Advances in Chemical Physics

Author : Stuart A. Rice
Publisher : John Wiley & Sons
ISBN 13 : 9780470431900
Total Pages : 576 pages
Book Rating : 4.4/5 (319 download)

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Book Synopsis Advances in Chemical Physics by : Stuart A. Rice

Download or read book Advances in Chemical Physics written by Stuart A. Rice and published by John Wiley & Sons. This book was released on 2009-01-28 with total page 576 pages. Available in PDF, EPUB and Kindle. Book excerpt: The Advances in Chemical Physics series presents the cutting edge in every area of the discipline and provides the field with a forum for critical, authoritative evaluations of advances. It provides an editorial framework that makes the book an excellent supplement to advanced graduate classes, with contributions from experts around the world and a handy glossary for easy reference on new terminology. This series is a wonderful guide for students and professionals in chemical physics and physical chemistry, from academia, government, and industries including chemicals, pharmaceuticals, and polymers.

Recent Progress in Computational Sciences and Engineering (2 vols)

Author : Theodore Simos
Publisher : CRC Press
ISBN 13 : 1466564512
Total Pages : 1600 pages
Book Rating : 4.4/5 (665 download)

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Book Synopsis Recent Progress in Computational Sciences and Engineering (2 vols) by : Theodore Simos

Download or read book Recent Progress in Computational Sciences and Engineering (2 vols) written by Theodore Simos and published by CRC Press. This book was released on 2019-05-07 with total page 1600 pages. Available in PDF, EPUB and Kindle. Book excerpt: This volume brings together selected contributed papers presented at the International Conference of Computational Methods in Science and Engineering (ICCMSE 2006), held in Chania, Greece, October 2006. The conference aims to bring together computational scientists from several disciplines in order to share methods and ideas. The ICCMSE is unique in its kind. It regroups original contributions from all fields of the traditional Sciences, Mathematics, Physics, Chemistry, Biology, Medicine and all branches of Engineering. It would be perhaps more appropriate to define the ICCMSE as a conference on computational science and its applications to science and engineering. Topics of general interest are: Computational Mathematics, Theoretical Physics and Theoretical Chemistry. Computational Engineering and Mechanics, Computational Biology and Medicine, Computational Geosciences and Meteorology, Computational Economics and Finance, Scientific Computation. High Performance Computing, Parallel and Distributed Computing, Visualization, Problem Solving Environments, Numerical Algorithms, Modelling and Simulation of Complex System, Web-based Simulation and Computing, Grid-based Simulation and Computing, Fuzzy Logic, Hybrid Computational Methods, Data Mining, Information Retrieval and Virtual Reality, Reliable Computing, Image Processing, Computational Science and Education etc. More than 800 extended abstracts have been submitted for consideration for presentation in ICCMSE 2005. From these 500 have been selected after international peer review by at least two independent reviewers.

Ab Initio Molecular Dynamics

Author : Dominik Marx
Publisher : Cambridge University Press
ISBN 13 : 1139477196
Total Pages : 503 pages
Book Rating : 4.1/5 (394 download)

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Book Synopsis Ab Initio Molecular Dynamics by : Dominik Marx

Download or read book Ab Initio Molecular Dynamics written by Dominik Marx and published by Cambridge University Press. This book was released on 2009-04-30 with total page 503 pages. Available in PDF, EPUB and Kindle. Book excerpt: Ab initio molecular dynamics revolutionized the field of realistic computer simulation of complex molecular systems and processes, including chemical reactions, by unifying molecular dynamics and electronic structure theory. This book provides the first coherent presentation of this rapidly growing field, covering a vast range of methods and their applications, from basic theory to advanced methods. This fascinating text for graduate students and researchers contains systematic derivations of various ab initio molecular dynamics techniques to enable readers to understand and assess the merits and drawbacks of commonly used methods. It also discusses the special features of the widely used Car–Parrinello approach, correcting various misconceptions currently found in research literature. The book contains pseudo-code and program layout for typical plane wave electronic structure codes, allowing newcomers to the field to understand commonly used program packages and enabling developers to improve and add new features in their code.

Computational Spectroscopy

Author : Jörg Grunenberg
Publisher : John Wiley & Sons
ISBN 13 : 3527643621
Total Pages : 421 pages
Book Rating : 4.5/5 (276 download)

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Book Synopsis Computational Spectroscopy by : Jörg Grunenberg

Download or read book Computational Spectroscopy written by Jörg Grunenberg and published by John Wiley & Sons. This book was released on 2011-08-24 with total page 421 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.

Proceedings of Third Doctoral Symposium on Computational Intelligence

Author : Ashish Khanna
Publisher : Springer Nature
ISBN 13 : 9811931488
Total Pages : 856 pages
Book Rating : 4.8/5 (119 download)

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Book Synopsis Proceedings of Third Doctoral Symposium on Computational Intelligence by : Ashish Khanna

Download or read book Proceedings of Third Doctoral Symposium on Computational Intelligence written by Ashish Khanna and published by Springer Nature. This book was released on 2022-11-09 with total page 856 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book features high-quality research papers presented at Third Doctoral Symposium on Computational Intelligence (DoSCI 2022), organized by Institute of Engineering and Technology (IET), AKTU, Lucknow, India, on March 5, 2022. This book discusses the topics such as computational intelligence, artificial intelligence, deep learning, evolutionary algorithms, swarm intelligence, fuzzy sets and vague sets, rough set theoretic approaches, quantum inspired computational intelligence, hybrid computational intelligence, machine learning, computer vision, soft computing, distributed computing, parallel and grid computing, cloud computing, high performance computing, biomedical computing, and decision support and decision making.

Near-Infrared Spectroscopy

Author : Yukihiro Ozaki
Publisher : Springer Nature
ISBN 13 : 9811586489
Total Pages : 593 pages
Book Rating : 4.8/5 (115 download)

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Book Synopsis Near-Infrared Spectroscopy by : Yukihiro Ozaki

Download or read book Near-Infrared Spectroscopy written by Yukihiro Ozaki and published by Springer Nature. This book was released on 2020-11-13 with total page 593 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book provides knowledge of the basic theory, spectral analysis methods, chemometrics, instrumentation, and applications of near-infrared (NIR) spectroscopy—not as a handbook but rather as a sourcebook of NIR spectroscopy. Thus, some emphasis is placed on the description of basic knowledge that is important in learning and using NIR spectroscopy. The book also deals with applications for a variety of research fields that are very useful for a wide range of readers from graduate students to scientists and engineers in both academia and industry. For readers who are novices in NIR spectroscopy, this book provides a good introduction, and for those who already are familiar with the field it affords an excellent means of strengthening their knowledge about NIR spectroscopy and keeping abreast of recent developments.

Computational Structural Biology

Author : Torsten Schwede
Publisher : World Scientific
ISBN 13 : 9812778780
Total Pages : 790 pages
Book Rating : 4.8/5 (127 download)

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Book Synopsis Computational Structural Biology by : Torsten Schwede

Download or read book Computational Structural Biology written by Torsten Schwede and published by World Scientific. This book was released on 2008 with total page 790 pages. Available in PDF, EPUB and Kindle. Book excerpt: This is a comprehensive introduction to Landau-Lifshitz equations and Landau-Lifshitz-Maxwell equations, beginning with the work by Yulin Zhou and Boling Guo in the early 1980s and including most of the work done by this Chinese group led by Zhou and Guo since. The book focuses on aspects such as the existence of weak solutions in multi dimensions, existence and uniqueness of smooth solutions in one dimension, relations with harmonic map heat flows, partial regularity and long time behaviors. The book is a valuable reference book for those who are interested in partial differential equations, geometric analysis and mathematical physics. It may also be used as an advanced textbook by graduate students in these fields.