Computer Chemistry

Nonfiction, Science & Nature, Science, Chemistry, General Chemistry
Cover of the book Computer Chemistry by Mario Marsili, CRC Press
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Author: Mario Marsili ISBN: 9781351367455
Publisher: CRC Press Publication: July 28, 2017
Imprint: CRC Press Language: English
Author: Mario Marsili
ISBN: 9781351367455
Publisher: CRC Press
Publication: July 28, 2017
Imprint: CRC Press
Language: English

Computer Chemistry illustrates the methods and philosophies of how a computer can be instructed to "understand" chemical facts, formulas and rules. It focuses on discussions of all of the major sections in both theoretical framework and practical application through examples. It includes the Synthesis Design Systems for the simulation of chemical reactions, the Structure Elucidation Systems for the interpretation of spectral data, the Molecular Modelling Systems for the visualization of chemical structures and the calculation of physico-chemical parameters.

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Computer Chemistry illustrates the methods and philosophies of how a computer can be instructed to "understand" chemical facts, formulas and rules. It focuses on discussions of all of the major sections in both theoretical framework and practical application through examples. It includes the Synthesis Design Systems for the simulation of chemical reactions, the Structure Elucidation Systems for the interpretation of spectral data, the Molecular Modelling Systems for the visualization of chemical structures and the calculation of physico-chemical parameters.

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