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ePub Computer-assisted Structure Elucidation download

by Neil A.B. Gray

ePub Computer-assisted Structure Elucidation download
Author:
Neil A.B. Gray
ISBN13:
978-0471969594
ISBN:
0471898244
Language:
Publisher:
John Wiley & Sons Inc (October 22, 1986)
Category:
Subcategory:
Chemistry
ePub file:
1117 kb
Fb2 file:
1245 kb
Other formats:
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Rating:
4.5
Votes:
734

Start by marking Computer-Assisted Structure Elucidation as Want to Read .

Start by marking Computer-Assisted Structure Elucidation as Want to Read: Want to Read savin. ant to Read.

Computer-Assisted Structure Elucidation.

Program CASE, an evolving computer model of the structure elucidation process, treats three major tasks: reduction of the . Inorganic Chemistry Molecular Structure Structural Feature Computer Model Spectral Property

Program CASE, an evolving computer model of the structure elucidation process, treats three major tasks: reduction of the chemical and spectral properties of a compound of unknown structure to their structural implications, generation of all complete molecular structures compatible with the structural features identified, and ranking these structures on the basis of the degree of fit between predicted and observed spectral properties. The current program status is described and program application is illustrated. Inorganic Chemistry Molecular Structure Structural Feature Computer Model Spectral Property. These keywords were added by machine and not by the authors.

The book is primarily an instruction manual for the ACD/Structure Elucidator software, clearly different from educational books for .

The book is primarily an instruction manual for the ACD/Structure Elucidator software, clearly different from educational books for the basic understanding of spectra–structure relationships. For users of the Structure Elucidator software, . students and practicing chemists who are familiar with the basic principles of molecular spectroscopy and with experience in structure elucidation, the book is strongly recommended. They explain in detail the concepts of the Computer-Assisted Structure Elucidation (CASE) approach and point out the crucial role of understanding the axiomatic nature of the data used to deduce the structure.

Computer-assisted structure elucidation (or CASE) is the technique of using software to generate all possible molecular structures that are consistent with a particular . Known as: Case, Computer assisted structure elucidation

Computer-assisted structure elucidation (or CASE) is the technique of using software to generate all possible molecular structures that are consistent with a particular set of spectroscopic data. Known as: Case, Computer assisted structure elucidation. Computer-assisted structure elucidation (or CASE) is the technique of using software to generate all possible molecular structures that ar. xpand.

Computer-Assisted Structure Elucidation (CASE) systems are a combination of software algorithms and .

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 o. .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. Computational chemistry.

Drawing on a wide range of recent research, this book introduces the most important new algorithms for solving problems in structural chemistry. It is a review of problems related to the representation and manipulation of chemical data, illustrated with various approaches to their solutions. Computer-Assisted Structure Elucidation also introduces graph- theoretic and other essential algorithms. It supplies all of the background information necessary to follow the formal mathematical presentations in the material.