Tables of Spectral Data for Structure Determination of Organic Compounds

Tables of Spectral Data for Structure Determination of Organic Compounds
Author: Ernö Pretsch
Publisher: Springer Science & Business Media
Total Pages: 325
Release: 2013-06-29
Genre: Science
ISBN: 3662224550

Although numerical data are, in principle, universal, the compilations presented in this book are extensively annotated and interleaved with text. This translation of the second German edition has been prepared to facilitate the use of this work, with all its valuable detail, by the large community of English-speaking scientists. Translation has also provided an opportunity to correct and revise the text, and to update the nomenclature. Fortunately, spectroscopic data and their relationship with structure do not change much with time so one can predict that this book will, for a long period of time, continue to be very useful to organic chemists involved in the identification of organic compounds or the elucidation of their structure. Klaus Biemann Cambridge, MA, April 1983 Preface to the First German Edition Making use of the information provided by various spectroscopic tech niques has become a matter of routine for the analytically oriented organic chemist. Those who have graduated recently received extensive training in these techniques as part of the curriculum while their older colleagues learned to use these methods by necessity. One can, therefore, assume that chemists are well versed in the proper choice of the methods suitable for the solution of a particular problem and to translate the experimental data into structural information.

Chemistry Data Book

Chemistry Data Book
Author: J. G. Stark
Publisher: International Ideas
Total Pages: 112
Release: 1982
Genre: Chemical elements
ISBN: 9780719539510

This text is a standard reference book for A Level and equivalent examinations.

Data Science in Chemistry

Data Science in Chemistry
Author: Thorsten Gressling
Publisher: Walter de Gruyter GmbH & Co KG
Total Pages: 540
Release: 2020-11-23
Genre: Technology & Engineering
ISBN: 3110629453

The ever-growing wealth of information has led to the emergence of a fourth paradigm of science. This new field of activity – data science – includes computer science, mathematics and a given specialist domain. This book focuses on chemistry, explaining how to use data science for deep insights and take chemical research and engineering to the next level. It covers modern aspects like Big Data, Artificial Intelligence and Quantum computing.

Handbook of Chemical Compound Data for Process Safety

Handbook of Chemical Compound Data for Process Safety
Author: Carl L. Yaws
Publisher: Elsevier
Total Pages: 233
Release: 1997-03-25
Genre: Technology & Engineering
ISBN: 0080533396

This book provides comprehensive safety and health-related data for hydrocarbons and organic chemicals as well as selected data for inorganic chemicals.

Chemical Data Guide for Bulk Shipment by Water

Chemical Data Guide for Bulk Shipment by Water
Author: United States. Coast Guard
Publisher: U.S. Government Printing Office
Total Pages: 452
Release: 1990
Genre: Business & Economics
ISBN:

Contains data on over 300 liquid cargoes being transported in bulk by water. This Chemical Data Guide was developed in the interest of safe water movement of bulk chemicals. By providing key chemical information, this guide can help prevent or at least minimize the harmful effects of chemical accidents on the waterways. Edge indexed.

The Handling of Chemical Data

The Handling of Chemical Data
Author: P. D. Lark
Publisher: Elsevier
Total Pages: 393
Release: 2013-10-22
Genre: Mathematics
ISBN: 1483146154

The Handling of Chemical Data deals with how measurements, such as those arrived at from chemical experimentation, are handled. The book discusses the different kinds of measurements and their specific dimensional characteristics by starting with the origin and presentation of chemical data. The text explains the units, fixed points, and relationships found between scales, the concept of dimensions, the presentation of quantitative data (whether in a tabular or graphical form), and some uses of empirical equations. The book also explains the relationship between two variables, and how equations such as fitting the least square lines can be applied. The text explains how the simple regression and the correlations models can be modified in three ways depending on the complexities present while studying experimental data. When data are reduced to equation form, ancillary operations — interpolation, integration, and differentiation — become useful for more precise presentation and understanding of the experimental data. The book notes the importance of smoothing or adjustment as a procedure to eliminate the effects of random error through application of the direct methods, difference methods, and the least squares method for equally space values. The text then addresses the dimensional analysis in physico-chemical problems and discusses the different dimensions (time, mass, force, energy, and temperature) that can affect systems. Researchers who are time-constrained or equipped with only fundamental training and knowledge of statistical analysis will find this book helpful. It can also be read by students of advanced mathematics and statistical analysis.

Computational and Data-Driven Chemistry Using Artificial Intelligence

Computational and Data-Driven Chemistry Using Artificial Intelligence
Author: Takashiro Akitsu
Publisher: Elsevier
Total Pages: 280
Release: 2021-10-08
Genre: Science
ISBN: 0128232722

Computational and Data-Driven Chemistry Using Artificial Intelligence: Volume 1: Fundamentals, Methods and Applications highlights fundamental knowledge and current developments in the field, giving readers insight into how these tools can be harnessed to enhance their own work. Offering the ability to process large or complex data-sets, compare molecular characteristics and behaviors, and help researchers design or identify new structures, Artificial Intelligence (AI) holds huge potential to revolutionize the future of chemistry. Volume 1 explores the fundamental knowledge and current methods being used to apply AI across a whole host of chemistry applications. Drawing on the knowledge of its expert team of global contributors, the book offers fascinating insight into this rapidly developing field and serves as a great resource for all those interested in exploring the opportunities afforded by the intersection of chemistry and AI in their own work. Part 1 provides foundational information on AI in chemistry, with an introduction to the field and guidance on database usage and statistical analysis to help support newcomers to the field. Part 2 then goes on to discuss approaches currently used to address problems in broad areas such as computational and theoretical chemistry; materials, synthetic and medicinal chemistry; crystallography, analytical chemistry, and spectroscopy. Finally, potential future trends in the field are discussed. Provides an accessible introduction to the current state and future possibilities for AI in chemistry Explores how computational chemistry methods and approaches can both enhance and be enhanced by AI Highlights the interdisciplinary and broad applicability of AI tools across a wide range of chemistry fields

Quantities, Units and Symbols in Physical Chemistry

Quantities, Units and Symbols in Physical Chemistry
Author: International Union of Pure and Applied Chemistry. Physical and Biophysical Chemistry Division
Publisher: Royal Society of Chemistry
Total Pages: 240
Release: 2007
Genre: Reference
ISBN: 0854044337

Prepared by the IUPAC Physical Chemistry Division this definitive manual, now in its third edition, is designed to improve the exchange of scientific information among the readers in different disciplines and across different nations. This book has been systematically brought up to date and new sections added to reflect the increasing volume of scientific literature and terminology and expressions being used. The Third Edition reflects the experience of the contributors with the previous editions and the comments and feedback have been integrated into this essential resource. This edition has been compiled in machine-readable form and will be available online.

Comprehensive Chemometrics

Comprehensive Chemometrics
Author:
Publisher: Elsevier
Total Pages: 2880
Release: 2009-03-09
Genre: Science
ISBN: 044452701X

Designed to serve as the first point of reference on the subject, Comprehensive Chemometrics presents an integrated summary of the present state of chemical and biochemical data analysis and manipulation. The work covers all major areas ranging from statistics to data acquisition, analysis, and applications. This major reference work provides broad-ranging, validated summaries of the major topics in chemometrics—with chapter introductions and advanced reviews for each area. The level of material is appropriate for graduate students as well as active researchers seeking a ready reference on obtaining and analyzing scientific data. Features the contributions of leading experts from 21 countries, under the guidance of the Editors-in-Chief and a team of specialist Section Editors: L. Buydens; D. Coomans; P. Van Espen; A. De Juan; J.H. Kalivas; B.K. Lavine; R. Leardi; R. Phan-Tan-Luu; L.A. Sarabia; and J. Trygg Examines the merits and limitations of each technique through practical examples and extensive visuals: 368 tables and more than 1,300 illustrations (750 in full color) Integrates coverage of chemical and biological methods, allowing readers to consider and test a range of techniques Consists of 2,200 pages and more than 90 review articles, making it the most comprehensive work of its kind Offers print and online purchase options, the latter of which delivers flexibility, accessibility, and usability through the search tools and other productivity-enhancing features of ScienceDirect