A theoretical study on behaviours of H2 on Fe(100) surface under environmental pressure and temperature
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Coulomb effect on elastic electron scattering by hydrogen atom and hydrogen-like ions in their metastable 2s state in the 511–770 KeV energy range
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Structural evolution and electronic properties of the La-doped germanium clusters
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Theoretical study of the hydrolysis mechanism of β-lactam antibiotics catalysed by a Zn(II) dinuclear biomimetic organometallic complex
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Elasticity of bilayer lipid membranes from their density correlation function
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Elasticity of bilayer lipid membranes from their density correlation function
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Efficient transfer of population between rotational levels in deuterated ammonia using THz transitions
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2,4-dichloro-6-(1,4,5-triphenyl-1H-imidazol-2-yl) phenol: synthesis, DFT analysis, Molecular docking, molecular dynamics, ADMET properties against COVID-19 main protease (Mpro: 6WCF/6Y84/6LU7)
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2,4-dichloro-6-(1,4,5-triphenyl-1H-imidazol-2-yl) phenol: synthesis, DFT analysis, Molecular docking, molecular dynamics, ADMET properties against COVID-19 main protease (Mpro: 6WCF/6Y84/6LU7)
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Thermodynamic and transport properties of triangular-well fluids from molecular dynamics
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