Computer-Enhanced Analytical Spectroscopy Volume 4 PDF Download

Author: Henk L. C. Meuzelaar
Publisher: Modern Analytical Chemistry
ISBN:
Category : Science
Languages : en
Pages : 336

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Book Description
Carbon-13 nuclear magnetic resonance spectrum simulation; New approaches to computer-aided NMR interpretation and structure prediction; Multivariate data analysis of 2D NMR matrices; Deconvolution and quantitative enhancement of multidimensional spectra; Automatic analysis and simulation of mass spectra; Multivariate analysis of time-resolved pyrolysis mass spectral data; Extracting qualitative and quantitative information from infrared emission spectral data; Confirmation of detected species using Kovats indices and very low resolution spectrometry correlation analysis; The synergy of computational chemistry and spectroscopy in understanding molecular structure and dynamics at interfaces; Enhancement of chemical information through computer-assisted examination of spectral variations; Resolving unmodeled components from UV-visible spectra with adaptive filtering; Artificial intelligence and neural networks applied to ion mobility spectrometry.

Author: Henk Meuzelaar
Publisher: Springer Science & Business Media
ISBN: 1468453688
Category : Science
Languages : en
Pages : 280

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Book Description
June 1986 brought together some of the world's leaders in computer enhanced analytical spectroscopy at Snowbird, Utah, for what the attendees decided to call "The First Hidden Peak Symposium." With the remarkable advances in both computer hardware and software, it is interesting to observe that, while many computational aspects of spectroscopic analysis have become routine, some of the more fundamental problems remain unsolved. The group that assembled included many of those who started trying to interpret chemical spectroscopy when computers were ponderous, slow, and not very accessible, as well as newcomers who never knew the day that spectrometers were delivered without attached computers. The synergism was excellent. Many new ideas, as well as this volume, resulted from interactions among the participants. The conclusion was that progress would be made on more fundamen tal problems now that hardware, software, and mathematics were coming together on a more sophisticated level. The feeling was that the level of sophistication is now adequate and that it is only a matter of time before automated spectral interpretation surpasses all but the most advanced human experts.

Author: Foo-Tim Chau
Publisher: John Wiley & Sons
ISBN: 0471454737
Category : Science
Languages : en
Pages : 332

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Book Description
Wavelet Transformations and Their Applications in Chemistry pioneers a new approach to classifying existing chemometric techniques for data analysis in one and two dimensions, using a practical applications approach to illustrating chemical examples and problems. Written in a simple, balanced, applications-based style, the book is geared to both theorists and non-mathematicians. This text emphasizes practical applications in chemistry. It employs straightforward language and examples to show the power of wavelet transforms without overwhelming mathematics, reviews other methods, and compares wavelets with other techniques that provide similar capabilities. It uses examples illustrated in MATLAB codes to assist chemists in developing applications, and includes access to a supplementary Web site providing code and data sets for work examples. Wavelet Transformations and Their Applications in Chemistry will prove essential to professionals and students working in analytical chemistry and process chemistry, as well as physical chemistry, spectroscopy, and statistics.

Author:
Publisher: Academic Press
ISBN: 0128032251
Category : Science
Languages : en
Pages : 3716

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Book Description
This third edition of the Encyclopedia of Spectroscopy and Spectrometry, Three Volume Set provides authoritative and comprehensive coverage of all aspects of spectroscopy and closely related subjects that use the same fundamental principles, including mass spectrometry, imaging techniques and applications. It includes the history, theoretical background, details of instrumentation and technology, and current applications of the key areas of spectroscopy. The new edition will include over 80 new articles across the field. These will complement those from the previous edition, which have been brought up-to-date to reflect the latest trends in the field. Coverage in the third edition includes: Atomic spectroscopy Electronic spectroscopy Fundamentals in spectroscopy High-Energy spectroscopy Magnetic resonance Mass spectrometry Spatially-resolved spectroscopic analysis Vibrational, rotational and Raman spectroscopies The new edition is aimed at professional scientists seeking to familiarize themselves with particular topics quickly and easily. This major reference work continues to be clear and accessible and focus on the fundamental principles, techniques and applications of spectroscopy and spectrometry. Incorporates more than 150 color figures, 5,000 references, and 300 articles for a thorough examination of the field Highlights new research and promotes innovation in applied areas ranging from food science and forensics to biomedicine and health Presents a one-stop resource for quick access to answers and an in-depth examination of topics in the spectroscopy and spectrometry arenas

Author: Francis M. Mirabella
Publisher: John Wiley & Sons
ISBN: 9780471123590
Category : Science
Languages : en
Pages : 432

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Book Description
Dieses praxisorientierte Handbuch ist besonders für Neulinge auf dem Gebiet der Molekülspektroskopie gedacht. Es vermittelt das notwendige Grundwissen, um moderne Techniken im Laboralltag anwenden zu können, und zeigt, wie die Resultate geeignet auszuwerten sind. (04/98)

Author: Kenny B. Lipkowitz
Publisher: John Wiley & Sons
ISBN: 0471458813
Category : Science
Languages : en
Pages : 431

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Book Description
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

Author: Thomas Engel
Publisher: John Wiley & Sons
ISBN: 3527806520
Category : Science
Languages : en
Pages : 647

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Book Description
Edited by world-famous pioneers in chemoinformatics, this is a clearly structured and applications-oriented approach to the topic, providing up-to-date and focused information on the wide range of applications in this exciting field. The authors explain methods and software tools, such that the reader will not only learn the basics but also how to use the different software packages available. Experts describe applications in such different fields as structure-spectra correlations, virtual screening, prediction of active sites, library design, the prediction of the properties of chemicals, the development of new cosmetics products, quality control in food, the design of new materials with improved properties, toxicity modeling, assessment of the risk of chemicals, and the control of chemical processes. The book is aimed at advanced students as well as lectures but also at scientists that want to learn how chemoinformatics could assist them in solving their daily scientific tasks. Together with the corresponding textbook Chemoinformatics - Basic Concepts and Methods (ISBN 9783527331093) on the fundamentals of chemoinformatics readers will have a comprehensive overview of the field.

Author: Joseph D. Bronzino
Publisher: CRC Press
ISBN: 1439863113
Category : Medical
Languages : en
Pages : 5245

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Book Description
The definitive bible for the field of biomedical engineering, this collection of volumes is a major reference for all practicing biomedical engineers and students. Now in its fourth edition, this work presents a substantial revision, with all sections updated to offer the latest research findings. New sections address drugs and devices, personalized medicine, and stem cell engineering. Also included is a historical overview as well as a special section on medical ethics. This set provides complete coverage of biomedical engineering fundamentals, medical devices and systems, computer applications in medicine, and molecular engineering.

Author: Arthur T. Hubbard
Publisher: CRC Press
ISBN: 9780849389115
Category : Science
Languages : en
Pages : 950

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Book Description
This exciting new handbook investigates the characterization of surfaces. It emphasizes experimental techniques for imaging of solid surfaces and theoretical strategies for visualization of surfaces, areas in which rapid progress is currently being made. This comprehensive, unique volume is the ideal reference for researchers needing quick access to the latest developments in the field and an excellent introduction to students who want to acquaint themselves with the behavior of electrons, atoms, molecules, and thin-films at surfaces. It's all here, under one cover! The Handbook of Surface Imaging and Visualization is filled with sixty-four of the most powerful techniques for characterization of surfaces and interfaces in the material sciences, medicine, biology, geology, chemistry, and physics. Each discussion is easy to understand, succinct, yet incredibly informative. Data illustrate present research in each area of study. A wide variety of the latest experimental and theoretical approaches are included with both practical and fundamental objectives in mind. Key references are included for the reader's convenience for locating the most recent and useful work on each topic. Readers are encouraged to contact the authors or consult the references for additional information. This is the best ready reference available today. It is a perfect source book or supplemental text on the subject.

Author: Angel P. del Pobil
Publisher: Springer
ISBN: 3540693483
Category : Computers
Languages : en
Pages : 911

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Book Description
This two-volume set constitutes the refereed proceedings of the 11th International Conference on Industrial and Engineering Applications of Artificial Intelligence and Expert Systems, IEA/AIE-98, held in Benicassim, Castellon, Spain, in June 1998.The two volumes present a total of 187 revised full papers selected from 291 submissions. In accordance with the conference, the books are devoted to new methodologies, knowledge modeling and hybrid techniques. The papers explore applications from virtually all subareas of AI including knowledge-based systems, fuzzyness and uncertainty, formal reasoning, neural information processing, multiagent systems, perception, robotics, natural language processing, machine learning, supervision and control systems, etc..