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Concepts and Methods in Modern Theoretical Chemistry: Electronic Structure and Reactivity

ISBN: 9781466505285 | 1466505281
Edition: 1st
Format: Hardcover
Publisher: CRC Press
Pub. Date: 2/26/2013

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Written for students at advanced undergraduate and graduate levels, this book focuses on the electronic structures and reactivities of atoms and molecules. It begins with a general overview of topics and trends intheoretical chemistry including crystal engineering and computer-aided molecular design, then explores the more popular and successful quantum chemical techniques in use today. It pays particular attention to modern trends in the field. Techniques discussed include ab initiomethods, density functional theory, and many body theory. It concludes with a discussion of other miscellaneous aspects of quantum chemistry such as electron correlations, molecular electronics, and reaction dynamics.

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