Chemical reactivity theory; a density functional view.(Brief article)(Book review)

9781420065435

Chemical reactivity theory; a density functional view.

Chattaraj, Pratim Kumar.

CRC / Taylor & Francis

2009

576 pages

$179.95

Hardcover

QD462

For upper-level undergraduates, graduate students, and researchers, Chattaraj (chemistry, Indian Institute of Technology Kharagpur) brings together chapters by chemists and other scientists from around the world who explain how concepts from density functional theory (DFT) can be used to describe, understand, and predict chemical reactivity. In the 34 chapters, they cover various aspects of DFT and their connections to a chemical reactivity theory, including basic ground-state DFT and its extensions to time-dependent systems, excited states, and spin-polarized molecules, bonding, interactions, reactivity, dynamics, toxicity, aromaticity, and key global and local reactivity descriptors and their variations under different perturbations. No prior knowledge of the topic is assumed.

([c]2009 Book News, Inc., Portland, OR)

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