A data-driven exploration of the complexity of the phosphorus-centered pnictogen bonds
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Influence of high pressure on the mechanical and electronic properties of T-C9 carbon allotrope based on first-principles studies
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Photophysical and antitubercular studies on newly synthesised structurally architectured sulphonamide
.
Alkaline earth metal substitutional doped C20: a density functional study
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Iridium(Ir) decorated silicon Carbide (SiC) nanosheet as a promising sensitive material for detection of γ-Hydroxybutyric acid drug based on the DFT approach
.
Liquid-liquid transition in a simple model fluid with competitive interactions
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A simple model for density anomaly and excess thermodynamic properties of alcohol-like in water-like mixture
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Accuracy of projected atomic virtual orbital space in embedding applications
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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
.