OOIR: Observatory of International Research

Papers

(The H4-Index of Journal of Molecular Structure is 62. The table below lists those papers that are above that threshold based on CrossRef citation counts [max. 250 papers]. The publications cover those that have been published in the past four years, i.e., from 2020-11-01 to 2024-11-01.)

Article	Citations
An over review on recently developed techniques, mechanisms and intermediate involved in the advanced azo dye degradation for industrial applications	365
Improving copper(II) ion detection and adsorption from wastewater by the ligand-functionalized composite adsorbent	205
DFT studies on vibrational and electronic spectra, HOMO–LUMO, MEP, HOMA, NBO and molecular docking analysis of benzyl-3-N-(2,4,5-trimethoxyphenylmethylene)hydrazinecarbodithioate	201
Assessing sustainable Lutetium(III) ions adsorption and recovery using novel composite hybrid nanomaterials	180
Synthesis and characterization of magnetic ZnCl2-activated carbon produced from coconut shell for the adsorption of methylene blue	141
Computational evaluation of major components from plant essential oils as potent inhibitors of SARS-CoV-2 spike protein	135
Synthesis, X-ray structure, vibrational spectroscopy, DFT, biological evaluation and molecular docking studies of (E)-N’-(4-(dimethylamino)benzylidene)-5-methyl-1H-pyrazole-3-carbohydrazide	133
Lanthanides β-diketonate complexes as energy-efficient emissive materials: A review	115
Molecular structural aspects of organic corrosion inhibitors: Experimental and computational insights	114
Evaluation of the binding behavior of olmutinib (HM61713) with model transport protein: Insights from spectroscopic and molecular docking studies	114
Adsorption of doxorubicin hydrochloride onto thermally treated green adsorbent: Equilibrium, kinetic and thermodynamic studies	111
Synthesis and intensive characterization for novel Zn(II), Pd(II), Cr(III) and VO(II)-Schiff base complexes; DNA-interaction, DFT, drug-likeness and molecular docking studies	107
Synthesis, crystal structure, theoretical calculation, spectroscopic and antibacterial activity studies of copper(II) complexes bearing bidentate schiff base ligands derived from 4-aminoantipyrine: In	100
Synthesis, spectral characterization, crystal structure determination and antimicrobial activity of Ni(II), Cu(II) and Zn(II) complexes with the Schiff base ligand derived from 3,5-dibromosalicylaldeh	95
Synthesis, spectral characterization, crystal structure and antibacterial activity of nickel(II), copper(II) and zinc(II) complexes containing ONNO donor Schiff base ligands	93
Effective adsorption of doxorubicin hydrochloride on zirconium metal-organic framework: Equilibrium, kinetic and thermodynamic studies	92
Glucokinase activity enhancement by cellulose nanocrystals isolated from jujube seed: A novel perspective for type II diabetes mellitus treatment (In vitro)	91
Theoretical and experimental study of choline chloride-carboxylic acid deep eutectic solvents and their hydrogen bonds	91
Physical, biochemical, densitometric and spectroscopic techniques for characterization collagen from alternative sources: A review based on the sustainable valorization of aquatic by-products	88
Molecular structure, spectroscopic (FT-IR, FT-Raman, NMR), HOMO-LUMO, chemical reactivity, AIM, ELF, LOL and Molecular docking studies on 1-Benzyl-4-(N-Boc-amino)piperidine	88
Gold nanoparticles doped Polyvinyl Alcohol/Chitosan blend via laser ablation for electrical conductivity enhancement	86
Screening of potential drug from Azadirachta Indica (Neem) extracts for SARS-CoV-2: An insight from molecular docking and MD-simulation studies	84
Iron (III) and zinc (II) monodentate Schiff base metal complexes: Synthesis, characterisation and biological activities	83
Antimalarial potential of naphthalene-sulfonic acid derivatives: Molecular electronic properties, vibrational assignments, and in-silico molecular docking studies	82
An overview on applications of SwissADME web tool in the design and development of anticancer, antitubercular and antimicrobial agents: A medicinal chemist's perspective	82

Insight into non-covalent interactions in a tetrachlorocadmate salt with promising NLO properties: Experimental and computational analysis	80
Preparation methods of different nanomaterials for various potential applications: A review	79
Facile synthesis and applications of carbon nanotubes in heavy-metal remediation and biomedical fields: A comprehensive review	77
Cobalt(II), nickel(II), copper(II) and zinc(II) complexes of thiadiazole based Schiff base ligands: Synthesis, structural characterization, DFT, antidiabetic and molecular docking studies	77
Metallic nanoparticles as X-Ray computed tomography (CT) contrast agents: A review	77
A review on development of bio-active thiosemicarbazide derivatives: Recent advances	75
Tailoring, structural elucidation, DFT calculation, DNA interaction and pharmaceutical applications of some aryl hydrazone Mn(II), Cu(II) and Fe(III) complexes	75
Synthesis, structural, molecular docking and spectroscopic studies of (E)-N'-(4-methoxybenzylidene)-5-methyl-1H-pyrazole-3-carbohydrazide	75
Laccase immobilized on chitosan-coated Fe3O4 nanoparticles as reusable biocatalyst for degradation of chlorophenol	74
In-vitro studies of Curcumin-β-cyclodextrin inclusion complex as sustained release system	74
Biosynthesis, characterization and photocatalytic activity of ZnO nanoparticles using extracts of Justicia spicigera for the degradation of methylene blue	71
Sol gel synthesis of zinc oxide nanoparticles and their application as nano-composite electrode material for supercapacitor	71
5-((1H-imidazol-1-yl)methyl)quinolin-8-ol as potential antiviral SARS-CoV-2 candidate: Synthesis, crystal structure, Hirshfeld surface analysis, DFT and molecular docking studies	70
Synthesis and characterization of novel bioactive azo compounds fused with benzothiazole and their versatile biological applications	70
Insights into the structure activity relationship of nitrogen-containing heterocyclics for the development of antidepressant compounds: An updated review	69
N–hydroxybenzothioamide derivatives as green and efficient corrosion inhibitors for mild steel: Experimental, DFT and MC simulation approach	68
Synthesis and biological activity of pyrimidines-containing hybrids: Focusing on pharmacological application	68
Green synthesis and Characterization of Copper oxide nanoparticles using Calotropis procera leaf extract and their different biological potentials	67
Interaction behavior of curcumin encapsulated onto functionalized SBA-15 as an efficient carrier and release in drug delivery	67
RETRACTED: Nanomagnetic Salamo-based-Pd(0) Complex: an efficient heterogeneous catalyst for Suzuki–Miyaura and Heck cross-coupling reactions in aqueous medium	67
Structural inspection for novel Pd(II), VO(II), Zn(II) and Cr(III)- azomethine metal chelates: DNA interaction, biological screening and theoretical treatments	67
Synthesis, spectroscopy, crystal structure, TGA/DTA study, DFT and molecular docking investigations of (E)-4-(4-methylbenzyl)-6-styrylpyridazin-3(2H)-one	67
Design, synthesis, biological evaluation and molecular docking studies of novel 1H-1,2,3-Triazole derivatives as potent inhibitors of carbonic anhydrase, acetylcholinesterase and aldose reductase	67
An investigation of two heterobimetallic [Cu(II)2Ln(III)] (Ln = La and Ce) complexes of a more flexible bis(salamo)‐type ligand	66
Synthesis, structural investigation, computational study, antimicrobial activity and molecular docking studies of novel synthesized (E)-4-((pyridine-4-ylmethylene)amino)-N-(pyrimidin-2-yl)benzenesulfo	66
Isatin containing heterocycles for different biological activities: Analysis of structure activity relationship	65
Tuning optical, dielectric, and electrical properties of Polyethylene oxide/Carboxymethyl cellulose doped with mixed metal oxide nanoparticles for flexible electronic devices	65
New epoxy resin as a corrosion inhibitor for the protection of carbon steel C38 in 1M HCl. experimental and theoretical studies (DFT, MC, and MD)	65
Synthesis, growth, structural, spectroscopic, optical, thermal, DFT, HOMO–LUMO, MEP, NBO analysis and thermodynamic properties of vanillin isonicotinic hydrazide single crystal	64
Construction of bituminous coal vitrinite and inertinite molecular assisted by 13C NMR, FTIR and XPS	64
Toward a treatment of antibacterial and antifungal infections: Design, synthesis and in vitro activity of novel arylhydrazothiazolylsulfonamides analogues and their insight of DFT, docking and molecul	64
Adsorption studies of carbon dioxide and anionic dye on green adsorbent	64
Experimental and theoretical study of new Schiff bases based on imidazo(1,2-a)pyridine as corrosion inhibitor of mild steel in 1M HCl	63
An investigation into three-dimensional octahedral multi-nuclear Ni(II)-based complexes supported by a more flexible salamo-type ligand	62
Papaver somniferum as an efficient corrosion inhibitor for iron alloy in acidic condition: DFT, MC simulation, LCMS and electrochemical studies	62
Inhibitory activity of hydroxychloroquine on COVID-19 main protease: An insight from MD-simulation studies	62
New carbazole-based organic dyes with different acceptors for dye-sensitized solar cells: Synthesis, characterization, dssc fabrications and density functional theory studies	62
Sulfamic acid/water complexes (SAA-H2O(1-8)) intermolecular hydrogen bond interactions: FTIR,X-ray, DFT and AIM analysis	62