A Chemist's Guide to Density Functional Theory: An Introduction and Practical Guide to DFT Calculations (Gebundene Ausgabe) von Wolfram Koch, Max C Holthausen   Synopsis: Density functional theory (DFT) has become a major technique in quantum chemical calculations. In particular its excellent "price/performance" ratio has resulted in a growing number of DFT applications in computational chemistry. The fact that modern DFT programs can be used as black box tools on PCs makes them attractive for users without a deep quantum theoretical background. However, the uncritical use of theoretical strategies easily produces misleading or even plainly wrong results. This text is dedicated to such users in the area of chemistry. It provides a detailed discussion of the merits and difficulties of DFT calculations and presents a section with explicit examples of the most important quantum chemical applications. Thus it serves two purposes as: an easy-to-read introduction into DFT and its philosphy; and a practical guide to DFT calculations. Rezensionen ansehen...   Angebote zu  Chemist ,  Guide ,  Density  ab 1 Euro! Sonstige Artikel: Vom Altbau zum NiedrigEnergieHaus. Energietechnische Gebäudesanierung in der Praxis (Gebundene Ausgabe) von Ingo Gabriel, Heinz Ladener Die Geschichte V.Kalif Storch von Gert Heidenreich Souled Out von Tower of Power Mehr zu  Wörterbücher & Nachschlagewerke,  Quantenchemie,  Theoretische Chemie,  Chemistry,  Physical & Theoretical,  General & Reference,  Physical & Theoretical,  Quantum Chemistry,  Science Home ...,    Angebote ansehen ...,    Begleitseite ... Herausgeber dieser Seite ist DomainLoc.com GmbH - Partner von Amazon.de Copyright © DomainLoc.com GmbH (Impressum)