Results 261 to 264 of about 89,902 (264)

Further insights in DFT calculations of redox potential for iron complexes: The ferrocenium/ferrocene system

Computational and Theoretical Chemistry, 2017
CARLOS Amador-Bedolla, Martha M Flores-Leonar, Rafael Moreno-Esparza   +2 more
exaly  

DFT calculations of thiosemicarbazide, arylisothiocynates, and 1-aryl-2,5-dithiohydrazodicarbonamides as corrosion inhibitors of copper in an aqueous chloride solution

Journal of Industrial and Engineering Chemistry, 2015
exaly  

Insights into enhancement of NH3-SCR activity and N2 selectivity of LDHs-derived NiMnAlOx catalysts: Combination of experiments and DFT calculations

Applied Catalysis B: Environmental
Yuran Li, Jiewen Xiao, Rongrong Gui
exaly  

DFT calculations of solids in the ground state

2018
Karlheinz Schwarz, Peter Blaha
openaire   +1 more source