Journal of Molecular Structure

Papers
(The H4-Index of Journal of Molecular Structure is 64. 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 2021-05-01 to 2025-05-01.)
ArticleCitations
Two new Zn(II) and Cd(II) coordination polymers derived from 1,3,5-tris(3-carbonylphenyloxy)benzene and 4,4′-bis(imidazolyl)biphenyl ligands: Syntheses, structure and luminescent sensing of antibiotic249
Antioxidant capacity measurement based on κ-carrageenan stabilized and capped silver nanoparticles using green nanotechnology231
Versatile biological activities of thiosemicarbazones and their metal complexes177
Qualitative and semi-quantitative phase analysis of TiO2 thin layers by Raman imaging151
Exploring 2-Pyrazoline derivatives as potent antidiabetic agents and cholinesterase inhibitors: Their synthesis and molecular docking studies140
Synthesis, crystal structure, spectral properties, molecular docking, and Hirshfeld surface analysis of [Ru(bpy)2(NHC)(AN)]+2130
Tautomerism of herbicides metribuzin, diclosulam and clethodim: evaluation of different parameters for structure assignation130
Indapamide analogue a promising drug: Synthesis, a novel crystal structure, HSA/DFT/XRD, greener pastures biological study122
The tendency of the charge transfer system, derived from chloranilic acid and 2-amino-2-(hydroxymethyl)-1,3-propanediol towards copper(II) complex-formation: characterization, anion impact, and biolog113
Synthesis, spectroscopic characterization, and prevention of carbon steel corrosion in hydrochloric acid of a new bis-isoxazoline-carvone112
Towards significant enhancement of structural and optoelectronic properties of porphyrin palladium(II) complex: A theoretical and experimental analysis105
Efficient synthesis of novel 1, 2, 3-triazole-based diazepam derivatives by click CuAAC reaction: Spectroscopic characterizations and DFT studies104
Design, molecular docking and antimicrobial assessment of newly synthesized p-cuminal-sulfonamide Schiff base derivatives104
Two unique M-MOFs (M:Zn, Mn) based on various metal-oxygen chains for good sensitivity sensing and magnetic properties93
Synthesis, crystal structure and DFT study of ethyl (3aR,7R,7aR)-2,2-dimethyl-7-((methylsulfonyl)oxy)-3a,6,7,7a-tetrahydrobenzo[d][1,3]dioxole-5-carboxylate92
Synthesis, biological activities and theoretical studies of a new macroacyclic Schiff base ligand and its related Co(II), Ni(II), and Cu(II) complexes: The X-ray crystal structure of the Co(II) comple92
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 agonism88
Metal-organic hybrids of tin(IV) with tuneable band gap: Synthesis, single crystal X-ray structural, BVS and Z-scan studies of 1-methylimidazolinium hexahalostannate(IV)86
Biocatalyst mediated green approach for 1,8-dioxo-octahydroxanthenes: SCXRD, Hirshfeld analysis and DFT studies as inhibitors of HIV reverse transcriptase86
Evaluation of gradient boosting and deep learning algorithms in dimuon production85
Probing the Fermi resonance of pyridine surrounded by hydrogen bonding network by density functional theory83
Solid-form screening and absolute structure determination of antithrombotic diastereomers S007–867 and S007–117583
New degradable PCL/thiazole composite for biological applications; characterization and spectroscopic studies82
Synthesis of selenium-based BOPHY sensor for imaging of Cu(II) in living HeLa cells82
Synthesis of spirobifluorene derivatives via metal catalyzed C N and C C cross couplings: useful substrate for cadmium ion sensing81
Zn(II) complexes with pyridyl-based 1,3-selen/thiazolyl-hydrazones: A comparative study81
Experimental and computational studies of organic 4-[[(4-chlorophenyl)imino]methyl]phenol single crystals for optic and biological applications80
Free radical scavenging behaviour of the plant-beneficial secondary metabolite 2,4-diacetylphloroglucinol derivatives under physiological conditions: A joint experimental and theoretical study80
Inhibitory effects of phenylpropanoids and lignans isolated from the bark of Cinnamomum cassia L. on soluble epoxide hydrolase: Spectroscopic, kinetic, molecular docking, and molecular dynamics studie79
Investigations on synthesis, growth, crystal structure, thermal, Dielectric and Terahertz Transmission properties of Organic NLO Crystal : (2-(2-hydroxy-3-methoxystyryl)-1-methylquinolinium-4-methylbe79
Stereo and regioselective synthesis, structural elucidation and antibacterial activity of novel spiropyrrolidine embedded with two units of oxindoles79
Improved singlet oxygen generation of axially ruthenium(II) complex substituted silicon(IV) phthalocyanine by sono-photochemical studies76
A straightforward synthesis of methylenebisamides from amides and DMSO with a substoichiometric amount of (COCl)276
Chemical kinetic properties of HNgF → HF + Ng (Ng = Ar, Kr, Xe, and Rn) reactions: An example of fortuitous cancelling of relevant relativistic effects76
Mixed ligand complexes of Pt(II) Tertiary phosphines and 1-(benzo[d]thiazol-2-yl)-3-phenylthiourea; Crystal structure and DFT of [Pt(C14H9N3S2)(dppe)].CH2Cl275
Tautomer distributions of N-acetyl-D-glucosamine in the condition of commonly utilized solvents and catalysts for biorefinery: NMR study74
Quinoline-1,2,3-triazole hybrids: Design, synthesis, antimalarial and antimicrobial evaluation74
Novel synthesis, structural characterization, DFT and TDDFT investigation of ‘Butterfly’ like Ag(I)- complex supported by 3-pyrazinyl [1-methyl)imidazolium hexaflurophosphate74
Self-assembly of semiconductor quantum dots with porphyrin chromophores: Energy relaxation processes and biomedical applications74
Synthesis of novel substituted quinoline derivatives as diabetics II inhibitors and along with their in-silico studies74
Rational design and synthesis of organic-inorganic hexavanadate hybrids with p-halogenated benzoyl ligands73
pH-induced structural variations of two new Mg(II)-PDA complexes: experimental and theoretical studies73
Antileishmanial activity of 3,4,5-trisubstituted isoxazoles by interaction with Leishmania amazonensis plasma membrane71
Isostructural Hg(II) halide coordination polymers: A comparison of powder XRD, IR, emission and Hirshfeld Surface Analysis70
RETRACTED: Two new Cd(II) coordination polymers: Luminescent, photocatalytic properties and application values on children bronchopneumonia70
Crystal structure and photo-physical properties in a perovskite–type semiconducting hybrid phase: {(m-C6H7N2O2)2CdCl4}n70
Reactivity of hemilabile 2-pyridylselenolate ligand towards [NiCl2(dppe)]: Combined experimental and theoretical study70
Manipulation of m = 1 topological disclination line core structure69
Crystalline aloe-emodin reduce β-amyloid-induced toxicity in Caenorhabditis elegans with visualization of ingestion69
Thermodynamic profile and molecular modeling of the interaction between Grb2 dimer and flavonoids Rutin and Morin69
Analysis of the effects of trifluoromethyl group on the conformational properties of meta substituted thioacetanilide69
Exploring the polymorphism of selective androgen receptor modulator YK1168
One pot facile synthesis of flavanoidal oxadiazinanones: In vitro antibacterial activity, docking and MD simulation using DNA gyrase68
Keto-enol tautomerism, spectral (infrared, Raman and NMR) studies and Normal coordinate analysis of 4-Methyl-2-hydroxyquinoline using quantum mechanical calculations68
Crafting copper complexes of variable nuclearity and coordination geometry through solvent tailoring: Unveiling novel structure, magnetic insight and computational marvels67
Luminescent Cd-MOF and its mixed matrix membrane as a chemical sensor for selective and reversible detection of folic acid and Fe3+, and visible fingerprint identifying67
Chemo- and regioselective controlled synthesis and thermal analysis characterization of trifluoromethyl polypyrazoles66
Binaphthanol-derived emitters with aggregation-induced emission, acidochromic and chiral optical properties66
Tuning the fluorescence emission of water-stable CsPb(Br/I)3 perovskite nanocrystal probes for naked-eye visual detection of mercury ion66
Isatin derived morpholine and piperazine derivatives as acetylcholinesterase inhibitors65
Easy obtention of tin(II) complexes by using semicarbazones in their hydrochloride forms65
Synthesis and characterization of cinnamic acid based glyceride and its application for developing self-nanoemulsifying drug delivery system for curcumin oral delivery65
Synthesis of 2,3-dihydroxy-3-(N-substituted carbamoyl)propylphosphonic acid derivatives as hybrid DOXP-fosmidomycin analogues65
Synthesis and characterization of aza[7]helicenes65
Regio- and stereoselective synthesis of dispiropyrrolizidines through 1,3-dipolar cycloaddition reaction: Inhibition of KRAS expression64
Spectroscopic and microscopic studies of Co, Ce, and Pd containing gamma-alumina as catalysts for cyclohexene oxidation64
Synthesis, bright red-emitting and low thermal quenching behavior of europium(Ⅲ)-activated sodium borophosphate phosphor64
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