Russian
English
Home
News
Publications
Projects
Training
Products
About
Team
Contacts
Phone: +7 846 379-19-44
E-mail:
team@topospro.com
Home
Publications
Projects
Training
Products
About
Team
Contacts
Home
/
Publications review
/
Comparative analysis of DFT by the example of NiOOH
Comparative analysis of DFT by the example of NiOOH
22 August 2016
The article “
Benchmarking Density Functional Theory Based Methods to Model NiOOH Material Properties: Hubbard and van der Waals Corrections vs Hybrid Functionals
” has demonstrated how DFT modeling with considered corrections influence the results: geometry, oxidation degree, electronic structure, etc.
Home
/
Publications review
/
Comparative analysis of DFT by the example of NiOOH