scholarly journals A DFT study of structure and electrochemical properties of diiron-hydrogenase models with benzenedithiolato and benzenediselenato ligands

2020 ◽  
Vol 44 (3) ◽  
pp. 932-941 ◽  
Author(s):  
Mihajlo Etinski ◽  
Ivana M. Stanković ◽  
Rakesh C. Puthenkalathil ◽  
Bernd Ensing
Keyword(s):  
Electrochemical Properties ◽  
Dft Study ◽  
Chalcogen Atom ◽  
Proton Affinities

The chalcogen atom substitution in the Fe2(bdt)(CO)6 complex results in higher and lower proton affinities of iron and chalcogen atoms, respectively.

Comparing spectroscopic and electrochemical properties of complexes of type Cp’M(η3-C3H5)(CO)2 (Cp’ = Cp, Ind, Flu): A complementary experimental and DFT study

2015 ◽  
Vol 792 ◽  
pp. 154-166 ◽  
Author(s):  
Isabel S. Gonçalves ◽  
Luís F. Veiros ◽  
Carla A. Gamelas ◽  
Clara Cabrita ◽  
Maria José Calhorda ◽  
...  
Keyword(s):  
Electrochemical Properties ◽  
Dft Study

Acid–base behavior, electrochemical properties and DFT study of redox non-innocent phenol–imidazole ligands and their Cu complexes

Polyhedron ◽  
2015 ◽  
Vol 99 ◽  
pp. 34-46 ◽  
Author(s):  
Arfa Parween ◽  
Tarun Kanti Mandal ◽  
Régis Guillot ◽  
Subhendu Naskar
Keyword(s):  
Electrochemical Properties ◽  
Dft Study ◽  
Acid Base ◽  
Cu Complexes ◽  
Imidazole Ligands

DFT study of the effect of hidrocarbonated chains on the electronic properties of some oligothiophene derivatives

2009 ◽  
Author(s):  
Manuel Fernández-Gómez ◽  
Amparo Navarro ◽  
MªPaz Fernández-Liencres ◽  
Mónica Moral ◽  
José Manuel Granadino-Roldán ◽  
...  
Keyword(s):  
Electronic Properties ◽  
Dft Study
Sign in / Sign up

Export Citation Format

Share Document