Emerging trends of computational chemistry and molecular modeling in froth flotation: A Review
Froth flotation is the most versatile process in mineral beneficiation, extensively used to
concentrate a wide range of minerals. This process comprises mixtures of more or less …
concentrate a wide range of minerals. This process comprises mixtures of more or less …
Experimental and computational study of the differential sulfidization mechanism of smithsonite and calcite
Y Luo, L Ou, J Chen - Minerals Engineering, 2023 - Elsevier
The crystal structures of smithsonite and calcite are very similar. However, their sulfidization
performances have a huge difference. Herein, DFT computations, XPS, and ICP …
performances have a huge difference. Herein, DFT computations, XPS, and ICP …
Aromaticity of Heterocyclic Compounds and Their Corrosion Inhibition Property: Experimental and Theoretical Analysis
Heterocycle derived moieties, namely, N-(4-methoxyphenyl)-1-(1 H-pyrrol-2-yl) methanimine
(MPM), 1-(furan-2-yl)-N-(4-methoxyphenyl) methanimine (FMM), and N-(4-methoxyphenyl)-1 …
(MPM), 1-(furan-2-yl)-N-(4-methoxyphenyl) methanimine (FMM), and N-(4-methoxyphenyl)-1 …
Nonlinear Optical Studies of Water at Gypsum–Air and Gypsum–Aqueous Interfaces
G Yiyen, TN Sobolewski, RA Walker - The Journal of Physical …, 2024 - ACS Publications
Vibrational sum frequency generation (VSFG), Fourier transform infrared (FTIR) absorbance,
and Raman scattering were used to investigate the water structure at the gypsum (CaSO4 …
and Raman scattering were used to investigate the water structure at the gypsum (CaSO4 …
Analysis of surface stability of ferrocolumbite from combined DFT–Wulff construction simulations
Ferrocolumbite, a variegated oxide mineral bearing the strategic element niobium, exhibits
an array of surface chemical compositions across various cleavage orientations. The …
an array of surface chemical compositions across various cleavage orientations. The …
Bismuth oxyiodide as a highly efficient room temperature NOx gas sensor: Role of surface orientations on sensing performance
In the pursuit of develo** fast and reliable gas sensors, a new ternary oxide
semiconductor, a bismuth oxyiodide (BiOI)-based sensing material, has been reported with …
semiconductor, a bismuth oxyiodide (BiOI)-based sensing material, has been reported with …