Reactivity of phosphorene with a 3d element trioxide (CrO3) considering van der Waals molecular interactions: a DFT-D2 study
Sign Up to like & getrecommendations! Published in 2017 at "Journal of Molecular Modeling"
DOI: 10.1007/s00894-017-3225-z
Abstract: First-principle calculations are performed to investigate the interaction between clean black phosphorene and the CrO3 molecule which is known to be a powerful oxidizer and a suspected carcinogen. Van der Waals forces are included in… read more here.
Keywords: van der; der waals; cro3; phosphorene element ... See more keywords
Structural and electronic properties of FeCl3 and CrO3 interacting with GaP nanotubes from DFT calculations
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DOI: 10.1039/d1nj01416a
Abstract: Density functional theory based calculations were performed to study the modification of the electronic and structural properties originating from the interaction between the (10,0) GaPNT and the FeCl3 and CrO3 compounds, using the software SIESTA.… read more here.
Keywords: gap; structural electronic; electronic properties; gapnt ... See more keywords
[Antigenotoxicity of the soy isoflavone genistein in mice exposed to carcinogenic hexavalent chromium compounds].
Sign Up to like & getrecommendations! Published in 2022 at "Nutricion hospitalaria"
DOI: 10.20960/nh.04163
Abstract: INTRODUCTION the consumption of antioxidant-rich foods such as soy isoflavones may be an alternative in the protection and modulation against metal-induced genotoxicity with carcinogenic potential associated with oxidative stress. OBJECTIVE to evaluate the antigenotoxic effects… read more here.
Keywords: cro3; soy isoflavone; isoflavone genistein; genistein mice ... See more keywords