Open access peer-reviewed Edited Volume

Density Functional Calculations - Recent Progresses of Theory and Application

Book metrics overview

16,339 Chapter Downloads

View Full Metrics

Academic Editor

Gang Yang

Southwest University

PublishedMay 16th, 2018

Doi10.5772/intechopen.68548

ISBN978-1-78923-133-5

Print ISBN978-1-78923-132-8

eBook (PDF) ISBN978-1-83881-327-7

Copyright year2018

Number of pages272

Read more
Order Print Copy

Edited Volume and chapters are indexed in

  • World Of Science
  • BKCI
  • Google Scholar
  • DOAB
  • Crossref
  • Dimension
  • OpenAIRE
  • AZ ebsco
Show more

Table of Contents

Open access peer-reviewed  chapters

1. The DFT+U: Approaches, Accuracy, and Applications

By Sarah A. Tolba, Kareem M. Gameel, Basant A. Ali, Hossam A. Almossalami and Nageh K. Allam

4,357
20
1,177
5. Spectral Calculations with DFT

By Ataf Ali Altaf, Samia Kausar and Amin Badshah

1,890
3
6. DFT Calculations and Statistical Mechanics Applied to Isomerization of Pseudosaccharins

By Zuriel Natanael Cisneros-García, David Alejandro Hernández- Velázquez, Francisco J. Tenorio and Jaime Gustavo Rodríguez- Zavala

977
8. Mechanistic Study on the Formation of Compounds from Thioureas

By Warjeet S. Laitonjam and Lokendrajit Nahakpam

1,362
1,076
1
11. Application of Density Functional Theory in Soil Science

By Jiena Yun, Qian Wang, Chang Zhu and Gang Yang

1,167
1

IMPACT OF THIS BOOK AND ITS CHAPTERS

16,339 Total Chapter Downloads

29 Crossref Citations

47 Web of Science Citations

55 Dimensions Citations

Order a print copy of this book

£119 (ex. VAT)*

Hardcover | Printed Full Colour

IntechOpen Contributor? Get your Discount

FREE SHIPPING WORLDWIDE

Order & Delivery info

* Residents of European Union countries need to add a Book Value-Added Tax Rate based on their country of residence. Institutions and companies, registered as VAT taxable entities in their own EU member state, will not pay VAT by providing IntechOpen with their VAT registration number. This is made possible by the EU reverse charge method.

Instructor? Request an Exam Copy