scholarly journals Water-oxygen interaction on marcasite (1 0 1) surface: DFT calculation

2021 ◽  
Author(s):  
Junjie Zhang ◽  
Yuqiong Li ◽  
Jianhua Chen
Keyword(s):  
Dft Calculation ◽  
Water Oxygen ◽  
Oxygen Interaction

A DFT study on corrosion mechanism of steel bar under water-oxygen interaction

2020 ◽  
Vol 171 ◽  
pp. 109265 ◽  
Author(s):  
Zheng Chen ◽  
Yumei Nong ◽  
Jianhua Chen ◽  
Ye Chen ◽  
Bo Yu
Keyword(s):  
Dft Study ◽  
Corrosion Mechanism ◽  
Water Oxygen ◽  
Steel Bar ◽  
Oxygen Interaction

Iron–oxygen interaction in silicon: A combined XBIC/XRF-EBIC-DLTS study of precipitation and complex building

2009 ◽  
Vol 404 (23-24) ◽  
pp. 4645-4648
Author(s):  
M. Trushin ◽  
O. Vyvenko ◽  
W. Seifert ◽  
G. Jia ◽  
M. Kittler
Keyword(s):  
Complex Building ◽  
Oxygen Interaction

Mechanism of singlet oxygen interaction with spin trap α-phenyl-N-tert-butylnitrone

1984 ◽  
Vol 26 (4) ◽  
pp. 269-274 ◽  
Author(s):  
Alexander P. Darmanyan ◽  
Galina Móger
Keyword(s):  
Singlet Oxygen ◽  
Spin Trap ◽  
Oxygen Interaction

Solid-state Zwitterionic Tautomerization of 2-((5-methyl-1H-pyrazol-3-yl)methyl)-1H-benzimidazole: Synthesis, Characterization, DFT Calculation and Docking Studies

2021 ◽  
pp. 130231
Author(s):  
Laila El Foujji ◽  
Khadija El Bourakadi ◽  
El Mokhtar Essassi ◽  
René T. Boeré ◽  
Abou el kacem Qaiss ◽  
...  
Keyword(s):  
Solid State ◽  
Dft Calculation ◽  
Docking Studies

DFT calculation of square MoS2 nanotubes

2021 ◽  
Vol 130 ◽  
pp. 114693
Author(s):  
Meiqi Zhang ◽  
Mengting Weng ◽  
Takahiro Tamura ◽  
Manami Goto ◽  
Ichiro Yamane ◽  
...  
Keyword(s):  
Dft Calculation ◽  
Mos2 Nanotubes
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