Comparison of pure and hybrid DFT functionals for geometry...

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta) 2013 / 02 Vol. 132; Iss. 2

Comparison of pure and hybrid DFT functionals for geometry optimization and calculation of redox potentials for iron nitrosyl complexes with “μ-SCN” bridging ligands

Emel’yanova, Nina, Sanina, Nataliya, Krivenko, Alexander, Manzhos, Roman, Bozhenko, Konstantin, Aldoshin, Sergey
How much do you like this book?
What’s the quality of the file?
Download the book for quality assessment
What’s the quality of the downloaded files?
Volume:
132
Language:
english
Journal:
Theoretical Chemistry Accounts
DOI:
10.1007/s00214-012-1316-6
Date:
February, 2013
File:
PDF, 314 KB
english, 2013
Conversion to is in progress
Conversion to is failed