Bültmann & Gerriets
Density Functionals
Thermochemistry
von Erin R. Johnson
Verlag: Springer International Publishing
Reihe: Topics in Current Chemistry Nr. 365
Gebundene Ausgabe
ISBN: 978-3-319-19691-6
Auflage: 2015
Erschienen am 09.06.2015
Sprache: Englisch
Format: 241 mm [H] x 160 mm [B] x 17 mm [T]
Gewicht: 471 Gramm
Umfang: 200 Seiten

Preis: 213,99 €
keine Versandkosten (Inland)


Dieser Titel wird erst bei Bestellung gedruckt. Eintreffen bei uns daher ca. am 16. November.

Der Versand innerhalb der Stadt erfolgt in Regel am gleichen Tag.
Der Versand nach außerhalb dauert mit Post/DHL meistens 1-2 Tage.

klimaneutral
Der Verlag produziert nach eigener Angabe noch nicht klimaneutral bzw. kompensiert die CO2-Emissionen aus der Produktion nicht. Daher übernehmen wir diese Kompensation durch finanzielle Förderung entsprechender Projekte. Mehr Details finden Sie in unserer Klimabilanz.
Klappentext
Inhaltsverzeichnis

The series Topics in Current Chemistry presents critical reviews of the present and future trends in modern chemical research. The scope of coverage is all areas of chemical science including the interfaces with related disciplines such as biology, medicine and materials science. The goal of each thematic volume is to give the non-specialist reader, whether in academia or industry, a comprehensive insight into an area where new research is emerging which is of interest to a larger scientific audience. Each review within the volume critically surveys one aspect of that topic and places it within the context of the volume as a whole. The most significant developments of the last 5 to 10 years are presented using selected examples to illustrate the principles discussed. The coverage is not intended to be an exhaustive summary of the field or include large quantities of data, but should rather be conceptual, concentrating on the methodological thinking that will allow the non-specialist reader to understand the information presented. Contributions also offer an outlook on potential future developments in the field.



Real-space correlation models.- Functional development, RPA, dispersion.- Range-separated functionals.- Non-local functionals for surface chemistry.- Combining DFT and wave function methods.- Homodesmotic reactions, substituent effects.- Dispersion interactions.- Local-hybrid functionals.- Isodesmic reactions, strain, conjugation.- Partition density functional theory Fractional charges and spins.


andere Formate
weitere Titel der Reihe