Critical surface adsorption of confined binary liquids with locally conserved mass and composition
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A comprehensive investigation on one-pot synthesis of imidazole derivatives: quantum computational analysis, molecular docking, molecular dynamics simulations and antiviral activity against SARS-CoV-2
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Unravelling the hydrogen bonding patterns in telomeric G-quadruplexes: from structure to function*
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Impact of corner radius of the aperture on the accuracy of phase retrieval analysis in single-frame CDI for nanomaterials
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Is it possible to overheat ice? The activated melting of TIP4P/Ice at solid–vapour coexistence.
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Nature of metal–bis(β-diketonate) bonds in TM(acac’)2 (acac’ = acetylacetonate, hexafluoroacetylacetonate, hexamethylacetylacetonate; TM = Ni(II), Pd(II), Pt(II)) complexes: A density functional theory investigation
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The variation of the temperature of maximum density of non-polar solutes in water: insights from the pressure change in a constant volume solution process
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DFT simulations of Al-doped MoTe2 monolayer as an HCHO and C2H3Cl gas sensor for status evaluation of a dry-type reactor in the HVDC converter station
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Non-relativistic energy spectra of and diatomic molecules confined in a modified Scarf potential via supersymmetric WKB approach
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Thermal transport of alkali halide aqueous solutions: a non-equilibrium molecular dynamics investigation
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