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A Density Functional Theory Study of NO Reduction by C3H8 Aided Selective Catalytic Reduction Method
(Springer, 2015)
In this theoretical work sequential adsorption of H-2 and O-2 on a Ag (7) (+) cluster surface is first studied and Ag (7) (+) H2O2 cluster co-complex thereby obtained is used for the NO reduction process. This cationic ...
Synthesis and Characterization of a New 2-{(E)-[(4-aminophenyl)imino]methyl}-6-bromo-4-chlorophenol and Its Complexes with Co (II), Ni (II), Cu (II), and Zn (II): An Experimental and DFT Study
(Taylor & Francis Inc, 2015)
The complexes of Co, Ni, Cu and Zn with 2-{(E)-[(4-aminophenyl)imino]methyl}-6-bromo-4-chlorophenol were prepared and characterized by physical, spectral, and analytical data. The metal:ligand stoichiometric ratio is 1:2 ...
Corrosion inhibition behavior of two quinoline chalcones: insights from density functional theory
(Walter De Gruyter Gmbh, 2015)
There has been a considerable surge of experimental inquiry in recent years into understanding the factors responsible for the corrosion inhibition efficiency of chalcones; however, the question of what actually determines ...
