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[×ÊÔ´] ¡¾·ÖÏí¡¿CRCÐÂÊ飺Chemical Reactivity Theory: A Density Functional View




Paperback: 610 pages
Publisher: CRC; 1 edition (February 23, 2009)
Language: English
ISBN-10: 1420065432
ISBN-13: 978-1420065435
Format: PDF
You can buy this book: Amazon.com
Description: 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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