Results 271 to 280 of about 305,413 (295)

Photocatalysis-activated SR-AOP over PDINH/MIL-88A(Fe) composites for boosted chloroquine phosphate degradation: Performance, mechanism, pathway and DFT calculations

Applied Catalysis B: Environmental, 2021
Haodong Ji, Yu-Hang Li, Wen Liu
exaly  

Fast Algorithms For Calculating The Dft

IEEE South African Symposium on Communications and Signal Processing, 2005
H.C. Kotze, J.J.D. van Schalkwyk
openaire   +1 more source

Insights into CO2 methanation mechanism on cubic ZrO2 supported Ni catalyst via a combination of experiments and DFT calculations

Fuel, 2021
XiangLan Xu, Xiuzhong Fang, Xiang' Wang
exaly  

Advanced Development Strategy of Nano Catalyst and DFT Calculations for Direct Synthesis of Hydrogen Peroxide

Advanced Energy Materials, 2021
Geun-Ho Han, Seok-Ho Lee, Kwan-Young Lee
exaly  

Peroxymonosulfate (PMS) activated by magnetic Fe3O4 doped carbon quantum dots (CQDs) for degradation of Rhodamine B (RhB) under visible light: DFT calculations and mechanism analysis

Journal of Cleaner Production, 2023
Zhiliang Cheng, Yuan Liu
exaly  

Roles of noble metals (M = Ag, Au, Pd, Pt and Rh) on CeO2 in enhancing activity toward soot oxidation: Active oxygen species and DFT calculations

Journal of Hazardous Materials, 2021
Deok Yeon Jo, Chang Hwan Kim, Hyung Chul Ham   +2 more
exaly  

DFT calculations of molecular magnetic properties of coordination compounds

Coordination Chemistry Reviews, 2003
Ilaria Ciofini
exaly  

COMPARATIVE DFT CALCULATIONS OF SILVER CLUSTERS

Physics, Chemistry and Application of Nanostructures, 2003
V. E. MATULIS, O. A. IVASHKEVICH
openaire   +1 more source

Structures of Nonheme Oxoiron(IV) Complexes from X-ray Crystallography, NMR Spectroscopy, and DFT Calculations

Angewandte Chemie - International Edition, 2005
József Kaizer, William Brennessel, Christopher J Cramer   +2 more
exaly  

Very Strong Ferromagnetic Interaction in a New Binuclear μ-Methoxo-Bridged Mn(III) Complex: Synthesis, Crystal Structure, Magnetic Properties, and DFT Calculations

Journal of the American Chemical Society, 2006
Chahrazed Beghidja, Guillaume Rogez, Jens Kortus   +2 more
exaly