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Science/Engineering Chemical Reactivity Theory: A Density Functional View

Posted on 2010-03-16




Name:Science/Engineering Chemical Reactivity Theory: A Density Functional View
ASIN/ISBN:1420065432
Language:English
File size:6.3 Mb
Publish Date: 2009-02-23
ISBN: 1420065432
Pages: 610 pages
File Type: PDF
File Size: 6,3 MB
Other Info: CRC
   Science/Engineering Chemical Reactivity Theory: A Density Functional View

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Pratim Kumar Chattaraj "Chemical Reactivity Theory: A Density Functional View"

Comprising the contributions of sixty-five eminent scientists from thirteen different countries, this book introduces various aspects of density functional theory (DFT) and their connections to chemical reactivity theory. The text examines bonding, interactions, reactivity, dynamics, toxicity, and aromaticity as well as fundamental aspects of DFT. Several chapters provide a review of the key global and local reactivity descriptors and their variations under different perturbations. While this volume is designed for readers with little or no prior knowledge of the subject, the breadth of the book and the expertise of the authors ensure that even experienced scientists will benefit from the information in these pages.

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