Predictive modeling for physicochemical properties of β-lactam antibiotics through eigenvalue based topological indices and non linear regression techniques. [PDF]
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Journal of Computational Chemistry, Volume 47, Issue 10, 15 April 2026.Aromaticity of a ring by itself does not explain the binding energies of alkali and alkaline earth metal cations with nanographenes, but when combined with the Fukui function, it does. ABSTRACT Nanographenes, a subclass of polycyclic aromatic hydrocarbons (PAHs), have attracted significant interest due to their unique electronic properties and broad ...
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Ponderomotive plasma lenses for holography by Gaussian beams. [PDF]
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On Shape Optimization with Large Magnetic Fields in Two Dimensions. [PDF]
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Double-phase metasurface operators for all-optical image processing. [PDF]
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Mannich reaction with organozinc reagents in continuous flow: experimental and computational studies. [PDF]
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Second-order asymptotics of fractional Gagliardo seminorms as s → 1 - and convergence of the associated gradient flows. [PDF]
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Diversity patterns in terrestrial tetrapod clades are governed by equilibrium dynamics. [PDF]
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Investigating the Therapeutic Activity of C<sub>4</sub>N as a Targeted Drug Delivery System for Acetaminophen and Thioguanine through DFT Simulations. [PDF]
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Computational evaluation of an Ag (I)-N-heterocyclic carbene complex as a novel gas scavanger. [PDF]
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