A Chemist's Guide to Density Functional Theory (Paperback)

Wolfram Koch

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Language: English

Published by Wiley-VCH Verlag GmbH, Berlin, 2001

3527303723 / 9783527303724

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Paperback. "Chemists familiar with conventional quantum mechanics will applaud and benefit greatly from this particularly instructive, thorough and clearly written exposition of density functional theory: its basis, concepts, terms, implementation, and performance in diverse applications. Users of DFT for structure, energy, and molecular property computations, as well as reaction mechanism studies, are guided to the optimum choices of the most effective methods. Well done!" Paul von Rague Schleyer "A conspicuous hole in the computational chemist's library is nicely filled by this book, which provides a wide-ranging and pragmatic view of the subject.[.It] should justifiably become the favorite text on the subject for practioneers who aim to use DFT to solve chemical problems." J. F. Stanton, J. Am. Chem. Soc. "The authors' aim is to guide the chemist through basic theoretical and related technical aspects of DFT at an easy-to-understand theoretical level. They succeed admirably." P. C. H. Mitchell, Appl. Organomet. Chem. "The authors have done an excellent service to the chemical community. [.] A Chemist's Guide to Density Functional Theory is exactly what the title suggests. It should be an invaluable source of insight and knowledge for many chemists using DFT approaches to solve chemical problems." M. Kaupp, Angew. Chem. Many use Density Functional Theory (DFT) programs as black-box tools without having a quantum theoretical background or a concise knowledge about the strength and weaknesses of this approach. This text is designed to bridge the gap and to guide the non-expert user. Shipping may be from our Sydney, NSW warehouse or from our UK or US warehouse, depending on stock availability. …

Seller Inventory # 9783527303724

Title
A Chemist's Guide to Density Functional Theory (Paperback)
Author
Wolfram Koch
Publisher
Wiley-VCH Verlag GmbH, Berlin
Publication year
2001
Condition
new
Binding
Paperback
Language
English
ISBN 10
3527303723
ISBN 13
9783527303724
Edition
2nd Edition

AussieBookSeller

Truganina, VIC, Australia

5-star seller

AbeBooks seller since June 22, 2007

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