Items related to A Chemist's Guide to Density Functional Theory,...
Synopsis
"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.
"synopsis" may belong to another edition of this title.
About the Author
Wolfram Koch and Max C. Holthausen are the authors of A Chemist's Guide to Density Functional Theory, 2nd Edition, published by Wiley.
Review
..."Wolfram Koch und Max Holthausen schafften es meisterlich, sowohl ein Lehrwerk f]r Anfdnger als auch ein einfaches Nachschlagewerk f]r Experten auf dem Gebiet der Dichtefunktionaltheorie-Methoden zu konzipieren. Dies wurde mvglich durch die Aufteilung des Buches in zwei gro_e Teile: Theorie und Praxis. Wdhrend die Theorie sich in verstdndlicher Weise auf das Nvtigste beschrdnkt, werden im Praxisteil nahezu alle ]blichen quantenchemischen Fragestellungen eingehend besprochen ? und dies exemplarisch anhand aufbereiteter Originalvervffentlichungen." wissenschaft-online
"About this title" may belong to another edition of this title.
- PublisherWiley-VCH
- Publication date2001
- ISBN 10 3527303723
- ISBN 13 9783527303724
- BindingPaperback
- LanguageEnglish
- Edition number2
- Number of pages313
- Rating
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A Chemist's Guide to Density Functional Theory
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Condition: New. 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. . 2001. 2nd Edition. Paperback. . . . . Seller Inventory # V9783527303724
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