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Effects of structural properties of the Stern layer on the electrophoretic migration of a highly charged spherical macroion
The surface charge density effect on the electro-osmotic flow in a nanochannel: a molecular dynamics study
Water liquid-vapor interface subjected to various electric fields: A molecular dynamics study
DFT Study of the Possible Mechanisms for Synthesizing α-Cyanophosphonates from β-Nitrostyrenes
Interactive effects of CO2 and nitrogen supply on growth and physiological traits of millet cultivars under drought stress
Density functional theory study of nickel and copper single-atom catalysts on graphitic carbon nitride for benzene to phenol oxidation
Alumina-supported cobalt, nickel, and copper single-atom catalysts for CO to CO2 conversion; A comparative DFT study
Alumina-supported cobalt, nickel, and copper single-atom catalysts for CO to CO2 conversion; A comparative DFT study
Density functional theory study of nickel and copper single-atom catalysts on graphitic carbon nitride for benzene to phenol oxidation
DFT Study of the Possible Mechanisms for Synthesizing α-Cyanophosphonates from β-Nitrostyrenes
The regioselectivity in the gold-catalyzed cycloisomerization of alcohols: a full DFT study on carbene versus non-carbene mechanisms
Theoretical study of the efficiencies of graphyne supported Mo single-atom catalyst (SAC) and Mo-Ni dual-atom catalyst (DAC) on hydrogen evolution reaction
Single-atom catalysts (SACs) for CO <sub>2</sub> to CO conversion using Cu, Ni, and Co on graphene flakes support; a DFT study
A mechanistic study of the electrochemical reaction between nitrostyrene and benzaldehyde: DFT calculations on all possible routes and intermediates
Employing nano-SnFe2O4 in the synthesis of arylbenzimidazoles, the computational study of the reaction mechanism, and examining the products as putative human transmembrane protein activators