Computer-Enhanced Analytical Spectroscopy Volume 4
Computer-Enhanced Analytical Spectroscopy Volume 4

Author: Henk L. C. Meuzelaar

Publisher: Modern Analytical Chemistry

Published: 1993

Total Pages: 336

ISBN-13:

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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.

Computer-Enhanced Analytical Spectroscopy
Computer-Enhanced Analytical Spectroscopy

Author: Henk Meuzelaar

Publisher: Springer Science & Business Media

Published: 2013-03-08

Total Pages: 280

ISBN-13: 1468453688

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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.

Chemometrics
Chemometrics

Author: Foo-Tim Chau

Publisher: John Wiley & Sons

Published: 2004-04-23

Total Pages: 332

ISBN-13: 0471454737

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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.

Encyclopedia of Spectroscopy and Spectrometry
Encyclopedia of Spectroscopy and Spectrometry

Author:

Publisher: Academic Press

Published: 2016-09-22

Total Pages: 3716

ISBN-13: 0128032251

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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

Modern Techniques in Applied Molecular Spectroscopy
Modern Techniques in Applied Molecular Spectroscopy

Author: Francis M. Mirabella

Publisher: John Wiley & Sons

Published: 1998-04-06

Total Pages: 432

ISBN-13: 9780471123590

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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)

Reviews in Computational Chemistry, Volume 17
Reviews in Computational Chemistry, Volume 17

Author: Kenny B. Lipkowitz

Publisher: John Wiley & Sons

Published: 2003-05-08

Total Pages: 431

ISBN-13: 0471458813

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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

Applied Chemoinformatics
Applied Chemoinformatics

Author: Thomas Engel

Publisher: John Wiley & Sons

Published: 2018-04-19

Total Pages: 647

ISBN-13: 3527806520

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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.

The Biomedical Engineering Handbook
The Biomedical Engineering Handbook

Author: Joseph D. Bronzino

Publisher: CRC Press

Published: 2018-10-03

Total Pages: 5245

ISBN-13: 1439863113

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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.

Methodology and Tools in Knowledge-Based Systems
Methodology and Tools in Knowledge-Based Systems

Author: Angel P. del Pobil

Publisher: Springer

Published: 2006-04-11

Total Pages: 911

ISBN-13: 3540693483

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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..

Medical Devices and Human Engineering
Medical Devices and Human Engineering

Author: Joseph D. Bronzino

Publisher: CRC Press

Published: 2018-10-08

Total Pages: 891

ISBN-13: 1439825262

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Known as the bible of biomedical engineering, The Biomedical Engineering Handbook, Fourth Edition, sets the standard against which all other references of this nature are measured. As such, it has served as a major resource for both skilled professionals and novices to biomedical engineering. Medical Devices and Human Engineering, the second volume of the handbook, presents material from respected scientists with diverse backgrounds in biomedical sensors, medical instrumentation and devices, human performance engineering, rehabilitation engineering, and clinical engineering. More than three dozen specific topics are examined, including optical sensors, implantable cardiac pacemakers, electrosurgical devices, blood glucose monitoring, human–computer interaction design, orthopedic prosthetics, clinical engineering program indicators, and virtual instruments in health care. The material is presented in a systematic manner and has been updated to reflect the latest applications and research findings.