Abstract The (5α, 6α)-7, 8-didehydro-4, 5-epoxy-17-methylmorphinan-3, 6-diol (morphine)
molecule has been studied using the density functional theory and molecular docking …

In this work, a linear acyclic oligo (N, O-donor) salamo-based chelate ligand H 4 L
containing both dioxime and Schiff base functionalities was synthesized. Its various bi …

We report in this study the influence of green solvents (water and DMSO) effect in structural
parameters, frontier molecular orbital's (FMO's) and molecular electrostatic potential surface …

Abstract Structure− activity relationships for hydroxychloroquine compound and its
derivatives resulted in a potent antiviral activity. Where hydroxychloroquine derivatives …

In this paper, experimental and theoretical results of 2-(3, 4-dihydroxyphenyl) ethanaminium
nitrate (2DOPN) have been investigated. From DFT calculations, molecular geometry and …

Novel tetranuclear Ni (II) complex [Ni 4 (L)(acac) 4 (EtOH) 2]⋅ 4CH 2 Cl 2 was synthesized
by a rigid bis (salamo)-like ligand H 4 L and Ni (acac) 2 in ethanol/dichloromethane mixed …

Naphthalene derivatives are heterocyclic compounds with significant applications in the
pharmaceutical and biomedical industries. Several spectroscopy methods, including FT-IR …

The spectroscopic characteristics, molecular structure, and biological characteristics of the
Isobavachalcone (IBC) structure have been studied using computational techniques utilizing …

This study presents a comprehensive assessment of the antimicrobial efficacy of a
Guanidine-Based Terpolymer (DGF) utilizing a blend of experimental and theoretical …

In this work, the structures, reactivities, and electronic and biological properties of the 3 (2H)-
furanone derivatives, 2-hydroxy-2, 5-diphenyl-4-(phenylamino) furan-3 (2H)-one (HDPF), 2 …