OOIR: Observatory of International Research

Papers

(The H4-Index of Journal of Molecular Structure is 71. 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 2022-05-01 to 2026-05-01.)

Article	Citations
Reactions of Ru3(CO)12 with 1,5-bis(diphenylphosphino)pentane: Synthesis, characterization, crystal structure, Hirshfeld surface and QTAIM Analysis of Ru3(CO)10(µ-dpppe)	314
Visible-light-mediated synthesis, NMR analysis and X-ray crystal structure of dihydrocyclobuta[b]naphthalene-3,8-diones	302
Isolation and identification of sesquiterpenes from the aerial parts of Chloranthus japonicus and their chemosensitizing activities on U2 OS cells	290
Facile synthesis of substituted 2-styrylnaphthyridine derivatives via sp3 C-H functionalization under mild conditions and their antimicrobial activity and Electrochemical properties	253
Assessment of VO2+ complexes with 6-(azouracil)-1‑hydroxy-3-methylbenzene as anti-cancer, anti-diabetes, and antioxidants, supported by DFT and molecular docking approach	227
Noncovalent interactions and electron transfer between 1,3,5-trinitro-1,3,5-triazinane and Al3O3−	149
Matrix infrared spectroscopic and ab initio investigations of methylamine-CO2 and methylamine-CO2-water complexes	146
DFT calculations of photophysical properties of ethylen-dioxy-thiophen derivatives oligomers with optoelectronic functionalities	141
Synthesis of spirobifluorene derivatives via metal catalyzed C N and C C cross couplings: useful substrate for cadmium ion sensing	126
Comments on “Investigations on a novel biologically active organic molecule of 5-Chloro-1-(4-piperidyl)-2-benzimidazolinone by spectroscopic, molecular docking, and quantum chemical approach”	121
Editorial Board	116
Biocatalyst mediated green approach for 1,8-dioxo-octahydroxanthenes: SCXRD, Hirshfeld analysis and DFT studies as inhibitors of HIV reverse transcriptase	112
Effect of binding pockets on the kinetics and thermodynamics of Diels-alder reaction in cucurbit-Uril family	109
Solid-form screening and absolute structure determination of antithrombotic diastereomers S007–867 and S007–1175	108
Editorial Board	103
Impact of solvation on plant-derived cyclic octapeptide alkaloid reactivity and drug suitability against target proteins implicated in leukemia: DFT, pharmacokinetics and molecular docking studies	102
Hybrid sulfonyl hydrazone compound containing thiotetrazole: Synthesis, characterization, potential ALS enzyme inhibitor property, and in silico studies	99
Structures, functionality, and catalytic performance of H2abda-based coordination polymers	99
Halochromaticity of a D-π-A based molecular optode for prediction of acid-base equilibrium in non-aqueous media	98
A series of dinuclear lanthanide complexes: Structure and zero-field dynamic magnetic behavior	98
Influence of molecular architecture on biphenyl self-assemblies: Mesomorphic behaviour and computational aspects	93
Synthesis, physico-chemical characterization and quantum chemical studies of 2, 3-dimethyl quinoxalinium-5-sulphosalicylate crystal	92
In situ reduction and self-alignment of reduced graphene oxide/poly(vinylidene fluoride) composite films: Toward high dielectric constant and suppressed loss	91
Design, synthesis, characterization and biological evaluation of 2H-chromene based [1,2-c]pyrazolone derivatives as promising anticancer agents: In silico computational studies	91
Comparative analysis of the interaction of oroxylin A with two sources of α-glucosidase and α-amylase	91

Eu3+-anchoring Zirconium-organic framework for enhancing fluorescence sensing detection sensitivity towards Cr(VI) ions	90
Room temperature palladium-catalyzed synthesis of novel unsymmetrical diamide scaffolds containing moieties of α-ketoester as potential antibacterial, antifungal and anticancer agents	90
Two new multifunctional coordination polymers based on N-heterocyclic carboxylic acid ligand: Syntheses, structures and properties	90
The synthesis of quaternary N-alkyl tropinium cationic surfactants and study on their properties: effect of temperature, hydrophobic chain length and anions	90
Effect of sodium dodecyl sulfate on the dielectric and electrical properties of poly (vinylidene fluoride)-zinc ferrite composites	89
Comprehensive analysis of optical properties, vibrational and antibacterial study of a novel Antimony(III) halide semiconductor templated by 2-methylimidazole	88
Designing isoquinoline-based orange emissive Ir(III) complexes featuring different auxiliary ligands for solution-processed OLEDs	88
Integrated computational and experimental approaches to identify new papain-like protease inhibitors	88
Computational studies, synthesis, in-vitro binding and transcription analysis of novel imidazolidine-2,4‑dione and 2-thioxo thiazolidine-4-one based glitazones for central PPAR-γ agonism	87
Novel anti-breast cancer agents of phenylazopyrazole derivatives: Design, synthesis, Topo IIα inhibitors with potential cytotoxic activity, docking, toxicity and ADME studies	87
On the structure of the anticoagulants acenocoumarol and warfarin: an NMR and theoretical study	87
Influence of methyl substituents on the conformational stability of Si3N3(CH3)6: molecules first principles and FT-IR matrix isolation study	86
Structural and photophysical properties of two-dimensional lead bromide hybrid perovskite (C8H17NH3)2PbBr4	85
Tautomerism of herbicides metribuzin, diclosulam and clethodim: evaluation of different parameters for structure assignation	84
Magnetic Fe3O4 nanoparticles in melamine-based ternary deep eutectic solvent as a novel eco-compatible system for green synthesis of pyrido[2,3-d]pyrimidine derivatives	84
Chemo- and regioselective controlled synthesis and thermal analysis characterization of trifluoromethyl polypyrazoles	82
A water-soluble indole-based dual-channel fluorescence sensor for sulfur dioxide and human serum albumin detection	82
Synthesis of selenium-based BOPHY sensor for imaging of Cu(II) in living HeLa cells	81
Exploration of modified β-cyclodextrin compounds as enhanced eco-friendly and easily accessible corrosion inhibitors for carbon steel in hydrochloric acid	81
A facile and green synthesis of pyrano[2,3-d]pyrimidine derivatives using new Fe3O4/NH2-MIL101(Fe)-SO3H magnetic recoverable heterogeneous nanocatalyst: Structural, biological and computational invest	81
Enhanced phase transition temperature achieved by CH3/H substitution in Sn-based perovskite	80
Synthesis of novel substituted quinoline derivatives as diabetics II inhibitors and along with their in-silico studies	79
Benzothiazole-based D-A-D type dichroic dyes for dimming devices	78
Multi-response luminescent sensor with phenylenediacetic acid and bis-triazole ligand for the detection of Cr(VI), Fe(III) and nitroimidazole antibiotics in aqueous solutions	78
Knoevenagel condensation of acetonedicarboxylates with aldehydes	77
Novel Zinc and Vanadium (V) Hydroquinonate Complexes: Synthesis and Biological Solution Evaluation	77
Physicochemical and biological properties of copper(II) complexes with tryptophan metabolites: Quinaldic acid, kynurenic acid and xanthurenic acid	76
In-situ grown MXene@PDA/MOF composites constructed electrochemical sensor for detecting trace l-cysteine	76
Analysis of boronic acids containing amino ferrocene by DFT approach and in silico studies	75
A homochiral Nickel(II) complex [Ni(P'N)2]Cl2: Synthesis, characterization, crystal structure, luminescence, DFT and Hirshfeld surface studies	75
Exploring the polymorphism of selective androgen receptor modulator YK11	75
Exploring physicochemical traits of a novel DSDA single crystal grown via the fusion of new diphenylamine anion for optical limiting applications	75
Solvent-assisted substitution of chloro‑ligands by N-heterocycles in ruthenium nitrosyl complex	74
Three α-aminophosphonate derivatives as potential inhibitors of SARS-CoV-2 main protease: Synthesis, DFT study, ADME-T properties, and molecular dynamics simulations	74
2-azidobenzaldehyde: A versatile scaffold for the generation of N‐heterocyclic compounds	74
Growth, structural characterization and third-order NLO investigation of novel centrosymmetric 2-amino-5-chloropyridinium adipate-adipic acid (2A5ClPAA) crystal	74
Editorial Board	73
Spectroscopic and microscopic studies of Co, Ce, and Pd containing gamma-alumina as catalysts for cyclohexene oxidation	72
Synthesis, characterization, crystal structure, DFT study, antimicrobial and anticancer activities of a novel Cu(II) complex derived from N-(furan-2-ylmethyl)-1 (5-methyl-1H-pyrazol-3-yl)methanimine	72
Evaluation of gradient boosting and deep learning algorithms in dimuon production	72
Synthesis, crystal structure, and chromotropism properties of Dihalo N-2-ethanolpicolylamine copper(II)	72
Tuning electrochemical behavior and band gap energy of ammonium phosphomolybdate/polymer composite and facilitate reduction of Cr(VI) in contaminated water	72
Synthesis, single crystal, in-silico and in-vitro assessment of the thiazolidinones	72
One-pot synthesis of diverse isoindolobenzoxazinone and isoindoloquinazolinone derivatives through a transition metal-free cascade cyclization	71
Structural conformation and coordination architecture investigation in the solvent induced cis Cu(II) complex containing fluorine-substituted β-diketonate ligand	71
Two unique M-MOFs (M:Zn, Mn) based on various metal-oxygen chains for good sensitivity sensing and magnetic properties	71
A novel dual three and five-component reactions between dimedone, aryl aldehydes, and 1-naphthylamine: synthesis and computational studies	71