The effect of metal-to-ligand charge transfer on linear and nonlinear optical properties of hexaphyrin and metallo-hexaphyrins The effect of metal-to-ligand charge transfer on linear and nonlinear optical properties of hexaphyrin and metallo-hexaphyrins August 9, 2024 .
Electronic dynamics of donor–bridge–acceptor system with a bridge impurity incorporated in dissipative environments Electronic dynamics of donor–bridge–acceptor system with a bridge impurity incorporated in dissipative environments August 7, 2024 .
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Schiff base derived from 2-hydroxy napthaldehyde as anti-corrosive for mild steel in acid media: experimental investigation and theoretical modelling Schiff base derived from 2-hydroxy napthaldehyde as anti-corrosive for mild steel in acid media: experimental investigation and theoretical modelling August 6, 2024 .
Revealing the effects of pressure on periodic descriptors Revealing the effects of pressure on periodic descriptors August 6, 2024 .
Study on structures, stabilities, electronic and magnetic properties of zirconium-doped magnesium clusters Zr2Mgn Study on structures, stabilities, electronic and magnetic properties of zirconium-doped magnesium clusters Zr2Mgn August 6, 2024 .
[NxH3x+1+][BH4−] (x = 1−5): role of polynuclear superalkalis in chemical hydrogen storage [NxH3x+1+][BH4−] (x = 1−5): role of polynuclear superalkalis in chemical hydrogen storage August 5, 2024 .
Effect of arm-length polydispersity on the phase behaviour of V-shaped molecules Effect of arm-length polydispersity on the phase behaviour of V-shaped molecules August 5, 2024 .
Three-fold π delocalisation bonding pattern in bowl-like B70 cluster: an all-boron analogue of the nanographene molecule C48H18 Three-fold π delocalisation bonding pattern in bowl-like B70 cluster: an all-boron analogue of the nanographene molecule C48H18 August 2, 2024 .
Butyrylcholinesterase with altered catalytic triad, acting as a promising bioscavenger against organophosphorus agents Butyrylcholinesterase with altered catalytic triad, acting as a promising bioscavenger against organophosphorus agents August 2, 2024 .