Physical Property Prediction in Organic Chemistry

Physical Property Prediction in Organic Chemistry PDF Author: Clemens Jochum
Publisher: Springer Science & Business Media
ISBN: 3642741401
Category : Science
Languages : en
Pages : 551

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Book Description
For more than 100 years the Beilstein Handbook has been publishing checked and evaluated data on organic compounds. It has become the major reference book for the chemical and physical properties of organic com pounds. The prediction of these physical properties was the subject of the Beilstein workshop. The ability to predict physical properties is for several reasons of great interest to the Beilstein Institute. It is of primary importance to be able to check the abstracted data for accuracy and to eliminate simple mistakes like typing errors. Presently all the work whether manuscript writing or evaluation of data is carried out manually. This is very time consuming, with the entry of Beilstein into electronic data gathering and publication, the opportunity for computerized consistency checking has become available. Contrary to belief, when one examines the Beilstein Handbook or Chemical Abstracts there is a dearth of chemical information. There are a great many compounds but few are well defined resulting in large gaps in the information available to the chemist. These information gaps could be filled by using algorithmic methods to estimate the properties of interest. An important question to answer is "What is the chemist's reaction to estimated data?" Will he accept it for use, within limits defined by the method, or will it be unacceptable and therefore detrimental for the data base. However if one could partly fill gaps in the data base the increase in the power of the search techniques would be marked.

Physical Property Prediction in Organic Chemistry

Physical Property Prediction in Organic Chemistry PDF Author: Clemens Jochum
Publisher: Springer Science & Business Media
ISBN: 3642741401
Category : Science
Languages : en
Pages : 551

Get Book Here

Book Description
For more than 100 years the Beilstein Handbook has been publishing checked and evaluated data on organic compounds. It has become the major reference book for the chemical and physical properties of organic com pounds. The prediction of these physical properties was the subject of the Beilstein workshop. The ability to predict physical properties is for several reasons of great interest to the Beilstein Institute. It is of primary importance to be able to check the abstracted data for accuracy and to eliminate simple mistakes like typing errors. Presently all the work whether manuscript writing or evaluation of data is carried out manually. This is very time consuming, with the entry of Beilstein into electronic data gathering and publication, the opportunity for computerized consistency checking has become available. Contrary to belief, when one examines the Beilstein Handbook or Chemical Abstracts there is a dearth of chemical information. There are a great many compounds but few are well defined resulting in large gaps in the information available to the chemist. These information gaps could be filled by using algorithmic methods to estimate the properties of interest. An important question to answer is "What is the chemist's reaction to estimated data?" Will he accept it for use, within limits defined by the method, or will it be unacceptable and therefore detrimental for the data base. However if one could partly fill gaps in the data base the increase in the power of the search techniques would be marked.

Molecular Design

Molecular Design PDF Author: A.L. Horvath
Publisher: Elsevier
ISBN: 0444596739
Category : Science
Languages : en
Pages : 1505

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Book Description
This book is a systematic presentation of the methods that have been developed for the interpretation of molecular modeling to the design of new chemicals. The main feature of the compilation is the co-ordination of the various scientific disciplines required for the generation of new compounds. The five chapters deal with such areas as structure and properties of organic compounds, relationships between structure and properties, and models for structure generation. The subject is covered in sufficient depth to provide readers with the necessary background to understand the modeling techniques. The book will be of value to chemists in industries involved in the manufacture of organic chemicals such as solvents refrigerants, blood substitutes, etc. It also serves as a reference work for researchers, academics, consultants, and students interested in molecular design.

CODATA Bulletin

CODATA Bulletin PDF Author: CODATA.
Publisher:
ISBN:
Category : Engineering
Languages : en
Pages : 828

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Book Description


Dynamic Behavior of Semivolatile Organic Compounds in Indoor Air

Dynamic Behavior of Semivolatile Organic Compounds in Indoor Air PDF Author: Michael David Van Loy
Publisher:
ISBN:
Category :
Languages : en
Pages : 520

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Book Description


Journal of Research of the National Bureau of Standards

Journal of Research of the National Bureau of Standards PDF Author: United States. National Bureau of Standards
Publisher:
ISBN:
Category : Chemistry
Languages : en
Pages : 576

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Transport, Behavior, and Fate of Volatile Organic Compounds in Streams

Transport, Behavior, and Fate of Volatile Organic Compounds in Streams PDF Author: R. E. Rathbun
Publisher:
ISBN:
Category : Environmental chemistry
Languages : en
Pages : 164

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NBS Special Publication

NBS Special Publication PDF Author:
Publisher:
ISBN:
Category : Weights and measures
Languages : en
Pages : 476

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Publications of the National Bureau of Standards

Publications of the National Bureau of Standards PDF Author: United States. National Bureau of Standards
Publisher:
ISBN:
Category : Government publications
Languages : en
Pages : 396

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Modelling Phase Equilibria

Modelling Phase Equilibria PDF Author: Stanislaw Malanowski
Publisher: John Wiley & Sons
ISBN:
Category : Science
Languages : en
Pages : 338

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Book Description
Presents a rigorous development of thermodynamic laws of phase equilibria beginning with fundamental principles, accompanied by a short description of the mathematics vital to a clear understanding of basic concepts as well as the practical methods used to calculate phase equilibria. Offers excellent explanations of well-established thermodynamic tools and novel, state-of-the-art techniques representing real fluid behavior. Models covered are relevant to the modeling of nonelectrolyte mixtures over wide ranges of pressure, temperature, composition and molecular diversity.

Catalog of National Bureau of Standards Publications, 1966-1976: pt. 1-2. Citations and abstracts. v. 2. pt. 1-2. Key word index

Catalog of National Bureau of Standards Publications, 1966-1976: pt. 1-2. Citations and abstracts. v. 2. pt. 1-2. Key word index PDF Author: United States. National Bureau of Standards. Technical Information and Publications Division
Publisher:
ISBN:
Category : Government publications
Languages : en
Pages : 1116

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Book Description