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A Chemist´s Guide to Density Functional Theory
Wolfram Koch
€ 97.23
€ 87.13
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Description for A Chemist´s Guide to Density Functional Theory
Paperback. 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. Num Pages: 313 pages, Ill. BIC Classification: PBKF; PNRP. Category: (P) Professional & Vocational. Dimension: 244 x 172 x 18. Weight in Grams: 546.
"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 ... Read more
"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 ... Read more
Product Details
Format
Paperback
Publication date
2001
Publisher
Wiley-VCH Verlag GmbH Germany
Number of pages
313
Condition
New
Number of Pages
313
Place of Publication
Berlin, Germany
ISBN
9783527303724
SKU
V9783527303724
Shipping Time
Usually ships in 4 to 8 working days
Ref
99-2
About Wolfram Koch
Wolfram Koch and Max C. Holthausen are the authors of A Chemist's Guide to Density Functional Theory, 2nd Edition, published by Wiley.
Reviews for A Chemist´s Guide to Density Functional Theory