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Chemical reactivity theory : a density functional view / edited by Pratim Kumar Chattaraj

Contributor(s): Chattaraj, Patrim Kumar.
Material type: materialTypeLabelBook; Format: print Publisher: Boca Raton : CRC Press, 2009Description: XVII, 576 p. ; 25 cm.ISBN: 978-1-4200-6543-5.Subject(s): Reactividad (Química)
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Item type Home library Call number Status Loan Date due Barcode Item holds
54-41/CHE (Browse shelf) Checked out PREST. LIBROS 31/01/2020 3743158691
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The work of 65 eminent scientists from 13 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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