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Computer Assisted Analytical Spectroscopy


Computer Assisted Analytical Spectroscopy
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Computer Assisted Analytical Spectroscopy


Computer Assisted Analytical Spectroscopy
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Author : Steven D. Brown
language : en
Publisher:
Release Date : 1996-08-06

Computer Assisted Analytical Spectroscopy written by Steven D. Brown and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 1996-08-06 with Science categories.


Based on presentations at the Fifth Symposium of Computer-Enhanced Analytical Spectroscopy, 1994, Computer-Assisted Analytical Spectroscopy is essentially divided into two parts. The first focuses on innovations associated with modern analytical measurements brought about through the use of computer methods in spectroscopy. Enhancements to vibrational, fluorescence, and mass spectroscopy are discussed. The main emphasis of the second part is placed on novel methods for dealing with problems arising in computer-assisted analysis of spectropic data. Throughout, practical applications of the techniques presented are described.



Computer Enhanced Analytical Spectroscopy Volume 4


Computer Enhanced Analytical Spectroscopy Volume 4
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Author : Charles L. Wilkins
language : en
Publisher: Springer
Release Date : 1994-01-31

Computer Enhanced Analytical Spectroscopy Volume 4 written by Charles L. Wilkins and has been published by Springer this book supported file pdf, txt, epub, kindle and other format this book has been release on 1994-01-31 with Science categories.


The current volume covers research advances in nuclear magnetic resonance, mass spectrometry, and optical spectroscopy with emphasis on computer-assisted interpretation methodologies.



Some Applications Of Computer Assisted Quantitative Infrared Spectroscopy


Some Applications Of Computer Assisted Quantitative Infrared Spectroscopy
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Author : DAC Compton
language : en
Publisher:
Release Date : 1987

Some Applications Of Computer Assisted Quantitative Infrared Spectroscopy written by DAC Compton and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 1987 with Analytical chemistry categories.


Many of the advantages of a research-grade Fourier transform infrared (FT-IR) instrument arise as a consequence of the powerful minicomputer available as part of the instrument. This computer allows for enhanced treatment of the digital spectroscopic data in order to improve the analytical capabilities. These enhanced treatment methods can be used for improved qualitative analysis (for example, by spectral searching) or quantitative analysis.



Computer Assisted Analysis Of Carbon 13 Nmr Spectral Data


Computer Assisted Analysis Of Carbon 13 Nmr Spectral Data
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Author : Neil A. B. Gray
language : en
Publisher:
Release Date : 1983

Computer Assisted Analysis Of Carbon 13 Nmr Spectral Data written by Neil A. B. Gray and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 1983 with categories.




Contemporary Computer Assisted Approaches To Molecular Structure Elucidation


Contemporary Computer Assisted Approaches To Molecular Structure Elucidation
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Author : Mikhail E Elyashberg
language : en
Publisher: Royal Society of Chemistry
Release Date : 2015-11-09

Contemporary Computer Assisted Approaches To Molecular Structure Elucidation written by Mikhail E Elyashberg and has been published by Royal Society of Chemistry this book supported file pdf, txt, epub, kindle and other format this book has been release on 2015-11-09 with Science categories.


Computer-Assisted Structure Elucidation (CASE) systems are a combination of software algorithms and tools to support and enable chemists and spectroscopists engaged in the process of molecular structure elucidation via the analysis of spectroscopic data. These expert systems dramatically reduce the time associated with structure elucidation and improve the reliability of the results. Contemporary Computer-Assisted Approaches to Molecular Structure Elucidation describes the principles on which these expert systems for spectroscopic structure elucidation are based and concisely explains the algorithmic concepts behind the programs. The authors use their own personal experiences in the development of the Structure Elucidator (StrucEluc) CASE software system to discuss the present state-of-the-art in computer-assisted structure elucidation. Scientists that are presently using CASE systems will be interested in the algorithms and modern approaches and for organizations that are currently using the StrucEluc platform the book is designed to help researchers understand the strategies behind CASE as well as details regarding the StrucEluc platform. For scientists that have never used CASE systems they will now have access to all necessary information to understand CASE systems for mastering this new and very effective approach to structure elucidation. The authors overall goal is writing this book is to produce the 'must read' definitive text that will represent the results of decades of work to develop computer-assisted structure elucidation software systems. CASE systems are now powerful software tools commonly outperforming and correcting human interpretations of data. This book will also provide an historical perspective of the work of the founding fathers of the technique and identify the challenges that have been overcome to produce modern CASE systems.



Computer Enhanced Analytical Spectroscopy Volume 4


Computer Enhanced Analytical Spectroscopy Volume 4
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Author : Henk L. C. Meuzelaar
language : en
Publisher: Modern Analytical Chemistry
Release Date : 1993

Computer Enhanced Analytical Spectroscopy Volume 4 written by Henk L. C. Meuzelaar and has been published by Modern Analytical Chemistry this book supported file pdf, txt, epub, kindle and other format this book has been release on 1993 with Science categories.


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.



Pharmaceutical Applications Of Computer Aided Methods In Analytical Spectroscopy And Liquid Chromatography


Pharmaceutical Applications Of Computer Aided Methods In Analytical Spectroscopy And Liquid Chromatography
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Author : A. A. Fasanmade
language : en
Publisher:
Release Date : 1985

Pharmaceutical Applications Of Computer Aided Methods In Analytical Spectroscopy And Liquid Chromatography written by A. A. Fasanmade and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 1985 with categories.




Computer Assisted Signal Analysis And Temperature Measurement In Electrothermal Atomic Absorption Spectroscopy


Computer Assisted Signal Analysis And Temperature Measurement In Electrothermal Atomic Absorption Spectroscopy
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Author : Fe Belen B. Bello
language : en
Publisher:
Release Date : 1991

Computer Assisted Signal Analysis And Temperature Measurement In Electrothermal Atomic Absorption Spectroscopy written by Fe Belen B. Bello and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 1991 with Atomic absorption spectroscopy categories.




Computer Enhanced Analytical Spectroscopy


Computer Enhanced Analytical Spectroscopy
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Author : Henk Meuzelaar
language : en
Publisher: Springer Science & Business Media
Release Date : 2013-03-08

Computer Enhanced Analytical Spectroscopy written by Henk Meuzelaar and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2013-03-08 with Science categories.


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.



Computer Enhanced Analytical Spectroscopy


Computer Enhanced Analytical Spectroscopy
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Author : Henk L. Meuzelaar
language : en
Publisher:
Release Date : 1990

Computer Enhanced Analytical Spectroscopy written by Henk L. Meuzelaar and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 1990 with categories.