A Chemist's Guide to Density Functional Theory (2)

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.

Copyright:

2001

Book Details

Book Quality:

Publisher Quality

Book Size:

313 Pages

ISBN-13:

9783527802814

Related ISBNs:

9783527303724, 9783527600045

Publisher:

Wiley

Date of Addition:

05/21/20

Copyrighted By:

WILEY-VCH Verlag GmbH, D-69469 Weinheim (Federal Republic of Germany)

Adult content:

No

Language:

English

Has Image Descriptions:

No

Categories:

Nonfiction, Science

Submitted By:

Bookshare Staff

Usage Restrictions:

This is a copyrighted book.