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 2022-08-01 to 2026-08-01.)

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)	346
Facile synthesis of substituted 2-styrylnaphthyridine derivatives via sp3 C-H functionalization under mild conditions and their antimicrobial activity and Electrochemical properties	327
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	321
Noncovalent interactions and electron transfer between 1,3,5-trinitro-1,3,5-triazinane and Al3O3−	244
Matrix infrared spectroscopic and ab initio investigations of methylamine-CO2 and methylamine-CO2-water complexes	171
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”	165
Editorial Board	151
Effect of binding pockets on the kinetics and thermodynamics of Diels-alder reaction in cucurbit-Uril family	133
Solid-form screening and absolute structure determination of antithrombotic diastereomers S007–867 and S007–1175	130
Editorial Board	119
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	116
Halochromaticity of a D-π-A based molecular optode for prediction of acid-base equilibrium in non-aqueous media	114
Hybrid sulfonyl hydrazone compound containing thiotetrazole: Synthesis, characterization, potential ALS enzyme inhibitor property, and in silico studies	114
Influence of molecular architecture on biphenyl self-assemblies: Mesomorphic behaviour and computational aspects	108
In situ reduction and self-alignment of reduced graphene oxide/poly(vinylidene fluoride) composite films: Toward high dielectric constant and suppressed loss	103
Two new multifunctional coordination polymers based on N-heterocyclic carboxylic acid ligand: Syntheses, structures and properties	100
The synthesis of quaternary N-alkyl tropinium cationic surfactants and study on their properties: effect of temperature, hydrophobic chain length and anions	100
Effect of sodium dodecyl sulfate on the dielectric and electrical properties of poly (vinylidene fluoride)-zinc ferrite composites	98
On the structure of the anticoagulants acenocoumarol and warfarin: an NMR and theoretical study	97
Designing isoquinoline-based orange emissive Ir(III) complexes featuring different auxiliary ligands for solution-processed OLEDs	97
Comprehensive analysis of optical properties, vibrational and antibacterial study of a novel Antimony(III) halide semiconductor templated by 2-methylimidazole	97
Structural and photophysical properties of two-dimensional lead bromide hybrid perovskite (C8H17NH3)2PbBr4	96
A water-soluble indole-based dual-channel fluorescence sensor for sulfur dioxide and human serum albumin detection	95
Tautomerism of herbicides metribuzin, diclosulam and clethodim: evaluation of different parameters for structure assignation	95
Synthesis of selenium-based BOPHY sensor for imaging of Cu(II) in living HeLa cells	95

Enhanced phase transition temperature achieved by CH3/H substitution in Sn-based perovskite	94
Knoevenagel condensation of acetonedicarboxylates with aldehydes	93
Physicochemical and biological properties of copper(II) complexes with tryptophan metabolites: Quinaldic acid, kynurenic acid and xanthurenic acid	93
A homochiral Nickel(II) complex [Ni(P'N)2]Cl2: Synthesis, characterization, crystal structure, luminescence, DFT and Hirshfeld surface studies	92
Exploring physicochemical traits of a novel DSDA single crystal grown via the fusion of new diphenylamine anion for optical limiting applications	91
Analysis of boronic acids containing amino ferrocene by DFT approach and in silico studies	90
2-azidobenzaldehyde: A versatile scaffold for the generation of N‐heterocyclic compounds	89
Solvent-assisted substitution of chloro‑ligands by N-heterocycles in ruthenium nitrosyl complex	88
Growth, structural characterization and third-order NLO investigation of novel centrosymmetric 2-amino-5-chloropyridinium adipate-adipic acid (2A5ClPAA) crystal	88
Editorial Board	87
Synthesis, crystal structure, and chromotropism properties of Dihalo N-2-ethanolpicolylamine copper(II)	85
Evaluation of gradient boosting and deep learning algorithms in dimuon production	84
Tuning electrochemical behavior and band gap energy of ammonium phosphomolybdate/polymer composite and facilitate reduction of Cr(VI) in contaminated water	84
Spectroscopic and microscopic studies of Co, Ce, and Pd containing gamma-alumina as catalysts for cyclohexene oxidation	84
Structural conformation and coordination architecture investigation in the solvent induced cis Cu(II) complex containing fluorine-substituted β-diketonate ligand	83
One-pot synthesis of diverse isoindolobenzoxazinone and isoindoloquinazolinone derivatives through a transition metal-free cascade cyclization	82
Two unique M-MOFs (M:Zn, Mn) based on various metal-oxygen chains for good sensitivity sensing and magnetic properties	82
A novel orange red emitting Li2Ba3(P2O7)2:VO2+ nanophosphor for high CRI LED applications using wet-chemical synthesis	81
Synthesis, bright red-emitting and low thermal quenching behavior of europium(Ⅲ)-activated sodium borophosphate phosphor	81
Spectroscopic properties, crystal structure, Hirshfeld surface analysis and DFT study of a new Cu(II) complex based on quinazolinone O,N,O-donor ligand	81
A green spectrophotometric method for daclatasvir analysis: Ion-associate formation and theoretical validation	81
Water adsorption and framework evolution in AlPO4-5: An infrared spectroscopic study	80
Spectroscopic, computational and mechanistic studies on regio- and stereoselectivity of the 1,3-dipolar cycloaddition reaction in the synthesis of dispiro[indoline-3,2′-pyrrolidine-3′,3"-indolines] fe	79
Editorial Board	79
pH-induced structural variations of two new Mg(II)-PDA complexes: experimental and theoretical studies	79
Binaphthanol-derived emitters with aggregation-induced emission, acidochromic and chiral optical properties	79
Targeting carbonic anhydrases II/IX/XII with novel series of coumarin-based compounds: Synthesis, biological activity and molecular dynamics analysis	78
Enhancing intermolecular interactions through side-group halogenation in dithieno[3,2-b:2′,3′-d]benzo[1,2-b:4,5-b']dithiophene copolymers for semi-transparent organic solar cells	78
Synthesis, crystal structure and metal ion sensing ability of novel 4-amino-3-nitroso-2H-chromen-2-one: Interaction studies with calf thymus-DNA	78
Free radical scavenging behaviour of the plant-beneficial secondary metabolite 2,4-diacetylphloroglucinol derivatives under physiological conditions: A joint experimental and theoretical study	78
Influence of buffer layer on optoelectronic properties of B-Mg co-doped ZnO ultrathin film for high-performance transparent conductor application	78
Influence of counter ions on supramolecular structures of copper(II) complexes derived from 1,8-naphthalimide tecton	77
Triazole-hydroxy naphthalimide hybrid as a fluorescent molecular tool for antifungal therapy and imaging: Experimental and theoretical investigations	76
Probing the Fermi resonance of pyridine surrounded by hydrogen bonding network by density functional theory	76
Selective quinizarin-linked bis-1,2,3-triazoles as probes for Fe(II)/(III): Characterization, metal ion binding, DFT, and antiallergy activity via docking studies	75
Crystalline aloe-emodin reduce β-amyloid-induced toxicity in Caenorhabditis elegans with visualization of ingestion	75
Microwave-assisted synthesis, characterizations, antimicrobial activities, and DFT studies on some pyridine derived Schiff bases	75
Luminescence properties, tunable emission and energy transfer of Na3Sc2(PO4)3: Sm3+, Bi3+ phosphors	73
Novel nonsymmetrically benzimidazolium salts and their silver(I)-N-heterocyclic carbene complexes: Synthesis, DFT study and Anticancer activities	73
Green synthesis of benzimidazoles via the palladium catalyzed one-pot reductive coupling of nitroarylamines with nitriles	73
Synthesis, structural characterization, and antibacterial activity of a Silver(I) complex with trimethoprim: A comprehensive study combining X-ray crystallography, Hirshfeld surface analysis, DFT calc	73
Ratiometric fluorescence sensing of hypochlorite ion by dansyl hydrazine - Spectroscopic and TD-DFT studies	73
Synthesis and characterization of cinnamic acid based glyceride and its application for developing self-nanoemulsifying drug delivery system for curcumin oral delivery	72
A green, deep eutectic solvent mediated one-pot synthesis, characterisation, molecular docking studies, and antitubercular activities of dihydropyrimido[4,5-b]naphthyridine derivatives	72
A nickel(II) trinuclear heteroleptic coordination compound derived from nickel acetate and a mixture of salicylaldehyde and cyclohexylamine	72
Theoretical investigation on CO oxidation by single nickel atom within two-dimensional porphyrin sheet	71
Investigating two structurally different penta-coordinated trigonal bipyramidal Co(II) non-symmetric salamo-type complexes	71