Explore
Density Functional Calculations
Gang Yang (editor)
2018
0 Ungluers have
Faved this Work
Login to Fave
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 researchers.
This book is included in DOAB.
Why read this book? Have your say.
You must be logged in to comment.
Rights Information
Are you the author or publisher of this work? If so, you can claim it as yours by registering as an Unglue.it rights holder.Downloads
This work has been downloaded 28 times via unglue.it ebook links.
- 28 - pdf (CC BY) at mts.intechopen.com.
Keywords
- Chemistry
- Mathematics & science
- physical chemistry
- Quantum & theoretical chemistry
- thema EDItEUR::P Mathematics and Science::PN Chemistry::PNR Physical chemistry::PNRP Quantum and theoretical chemistry
Links
DOI: 10.5772/intechopen.68548Editions