Custom cover image
Custom cover image

Density Functional Calculations - Recent Progresses of Theory and Application

By: Resource type: Ressourcentyp: Buch (Online)Book (Online)Language: English Publisher: [Erscheinungsort nicht ermittelbar] : IntechOpen, 2018Description: 1 Online-Ressource (272 p.)ISBN:
  • 9781789231328
  • 9781789231335
Online resources: Summary: Density functional theory (DFT) ranks as the most widely used quantum mechanical method and plays an increasingly larger role in a number of disciplines such as chemistry, physics, material, biology, and pharmacy. DFT has long been used to complement experimental investigations, while now it is also regarded as an indispensable and powerful tool for researchers of different fields. This book is divided into five sections that include original chapters written by experts in their fields: ""Method Development and Validation,"" ""Spectra and Thermodynamics,"" ""Catalysis and Mechanism,"" ""Material and Molecular Design,"" and ""Multidisciplinary Integration."" I would like to express my sincere gratitude to all contributors and recommend this book to both beginners and experienced researchersPPN: PPN: 1778534686Package identifier: Produktsigel: ZDB-94-OAB
No physical items for this record

Open Access. Unrestricted online access star

All rights reserved

English

KIT – The Research University in the Helmholtz Association                         Home | Impressum | Datenschutz | Barrierefreiheit | KIT

Powered by Koha