Results 291 to 295 of about 305,413 (295)

Adsorption and catalytic thermolysis of gaseous urea on anatase TiO2 studied by HPLC analysis, DRIFT spectroscopy and DFT calculations

Applied Catalysis B: Environmental, 2013
Izabela Czekaj, Oliver Kröcher
exaly  

A Pedestrian's Guide to DFT Calculations

2017
openaire   +1 more source

Visible-light induced ofloxacin photodegradation catalyzed by the S-scheme Bi2MoO6/NH2-MIL-68(In) heterojunction: Interfacial engineering, DFT calculations, and toxicity assessment

Chemical Engineering Journal
Jiang Li, Bin Wang
exaly  

Atomic Reference Energies for DFT calculations.

Chemical Physics Letters, 1997
Baerends, E.J., Branchadell, V., Sodupe, M.   +2 more
openaire   +1 more source

Carbon dioxide interaction with metal atoms: matrix isolation spectroscopic study and DFT calculations

Coordination Chemistry Reviews, 1999
exaly