Journal of Molecular Structure

Papers
(The H4-Index of Journal of Molecular Structure is 67. 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 2021-08-01 to 2025-08-01.)
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 antibiotic270
Tautomerism of herbicides metribuzin, diclosulam and clethodim: evaluation of different parameters for structure assignation252
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) comple171
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-carboxylate170
Evaluation of gradient boosting and deep learning algorithms in dimuon production150
Probing the Fermi resonance of pyridine surrounded by hydrogen bonding network by density functional theory133
Solid-form screening and absolute structure determination of antithrombotic diastereomers S007–867 and S007–1175129
New degradable PCL/thiazole composite for biological applications; characterization and spectroscopic studies120
Synthesis of spirobifluorene derivatives via metal catalyzed C N and C C cross couplings: useful substrate for cadmium ion sensing115
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 studie111
Zn(II) complexes with pyridyl-based 1,3-selen/thiazolyl-hydrazones: A comparative study111
Stereo and regioselective synthesis, structural elucidation and antibacterial activity of novel spiropyrrolidine embedded with two units of oxindoles102
Synthesis of novel substituted quinoline derivatives as diabetics II inhibitors and along with their in-silico studies97
Chemical kinetic properties of HNgF → HF + Ng (Ng = Ar, Kr, Xe, and Rn) reactions: An example of fortuitous cancelling of relevant relativistic effects97
Improved singlet oxygen generation of axially ruthenium(II) complex substituted silicon(IV) phthalocyanine by sono-photochemical studies97
Tautomer distributions of N-acetyl-D-glucosamine in the condition of commonly utilized solvents and catalysts for biorefinery: NMR study90
Rational design and synthesis of organic-inorganic hexavanadate hybrids with p-halogenated benzoyl ligands89
Antileishmanial activity of 3,4,5-trisubstituted isoxazoles by interaction with Leishmania amazonensis plasma membrane88
Reactivity of hemilabile 2-pyridylselenolate ligand towards [NiCl2(dppe)]: Combined experimental and theoretical study88
Crystal structure and photo-physical properties in a perovskite–type semiconducting hybrid phase: {(m-C6H7N2O2)2CdCl4}n88
Keto-enol tautomerism, spectral (infrared, Raman and NMR) studies and Normal coordinate analysis of 4-Methyl-2-hydroxyquinoline using quantum mechanical calculations86
RETRACTED: Two new Cd(II) coordination polymers: Luminescent, photocatalytic properties and application values on children bronchopneumonia86
Crystalline aloe-emodin reduce β-amyloid-induced toxicity in Caenorhabditis elegans with visualization of ingestion86
Chemo- and regioselective controlled synthesis and thermal analysis characterization of trifluoromethyl polypyrazoles85
Crafting copper complexes of variable nuclearity and coordination geometry through solvent tailoring: Unveiling novel structure, magnetic insight and computational marvels85
Tuning the fluorescence emission of water-stable CsPb(Br/I)3 perovskite nanocrystal probes for naked-eye visual detection of mercury ion84
Synthesis of 2,3-dihydroxy-3-(N-substituted carbamoyl)propylphosphonic acid derivatives as hybrid DOXP-fosmidomycin analogues84
Binaphthanol-derived emitters with aggregation-induced emission, acidochromic and chiral optical properties84
Isatin derived morpholine and piperazine derivatives as acetylcholinesterase inhibitors83
Synthesis and characterization of aza[7]helicenes83
Easy obtention of tin(II) complexes by using semicarbazones in their hydrochloride forms82
Regio- and stereoselective synthesis of dispiropyrrolizidines through 1,3-dipolar cycloaddition reaction: Inhibition of KRAS expression82
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)81
Spectroscopic and microscopic studies of Co, Ce, and Pd containing gamma-alumina as catalysts for cyclohexene oxidation81
Synthesis, crystal structure and metal ion sensing ability of novel 4-amino-3-nitroso-2H-chromen-2-one: Interaction studies with calf thymus-DNA79
A novel triphenylamine-furan hydrazone-based sensing of Cu2+ ions and imaging in cancer cells79
Molecular structure, quantum chemical and spectroscopic properties of 2,6–dibromonaphthalene by density functional theory calculations79
Visible-light-mediated synthesis, NMR analysis and X-ray crystal structure of dihydrocyclobuta[b]naphthalene-3,8-diones76
Synthesis, Structure and DNA-binding Property of a 14 Nuclear Silver(I) Ferrocenylacetylide Cluster76
Site-differentiated ligand substitutions of the incomplete-cubane type W-Fe-S clusters75
Corrigendum to ‘Synthesis, molecular docking, anti-cancer activity, and in-silico ADME analysis of novel spiroacenaphthylene pyrrolizidine derivatives’73
Preparation and solid-state characterization of two novel berberine chloride cocrystals with benzene derivatives72
Isolation and identification of sesquiterpenes from the aerial parts of Chloranthus japonicus and their chemosensitizing activities on U2 OS cells72
Facile synthesis of substituted 2-styrylnaphthyridine derivatives via sp3 C-H functionalization under mild conditions and their antimicrobial activity and Electrochemical properties72
A water-soluble indole-based dual-channel fluorescence sensor for sulfur dioxide and human serum albumin detection71
Two unique M-MOFs (M:Zn, Mn) based on various metal-oxygen chains for good sensitivity sensing and magnetic properties70
Y-shape pyridine-based D-π-A chromophores for improved nonlinear optical properties and optical limiting in polyurethanes70
Experimental, spectroscopic analysis, DFT and molecular docking studies of pyridine based biologically active anti-fungal drug derivative of para-benzoquinone and benzimidazole70
Structural (X-ray), spectroscopic (FT-IR, FT-Raman) and computational (DFT) analysis of intermolecular interactions in 1H-indazole-3-carbaldehyde70
Qualitative and semi-quantitative phase analysis of TiO2 thin layers by Raman imaging70
Optical properties of transition metals complex films derived from hydrazone oxime for optoelectronic devices70
Fabricating efficient SnO2/hydrochar heterojunction visible light photocatalyst for Cr(VI) reduction70
Synthesis, anti-proliferative activity, gene expression, docking and DFT investigation of novel pyrazol-1-yl-thiazol-4(5H)-one derivatives69
Small molecule N-heteroatomic fluorophores: Bridging chemistry, principles and photophysical properties for biomedical applications69
Synthesis, characterization of new heterocyclic compound: pyrazolyl hydrazino quinoxaline derivative: 3-[5-(hydroxy1methyl)-1-phenylpyrazol-3-yl]-2-[2, 4, 5-trimethoxybenzylidine] hydrazonyl-quinoxali69
Isostructural Hg(II) halide coordination polymers: A comparison of powder XRD, IR, emission and Hirshfeld Surface Analysis69
Effect of phase of NiS loaded on two-dimensional CdS nanosheets on photocatalytic hydrogen evolution69
Synthesis and characterization of cinnamic acid based glyceride and its application for developing self-nanoemulsifying drug delivery system for curcumin oral delivery69
Green synthesis of benzimidazoles via the palladium catalyzed one-pot reductive coupling of nitroarylamines with nitriles68
Synthesis, configurational analysis and antiviral activities of novel diphenylacrylic acids with caffeic acid as the lead compound68
Novel nonsymmetrically benzimidazolium salts and their silver(I)-N-heterocyclic carbene complexes: Synthesis, DFT study and Anticancer activities68
Growth dynamics of sodium nitrate incorporated acetamide crystal'sbiomedicinal profile: Anticancer, antidiabetic, antioxidant activities68
Editorial Board68
New naphthoquinones isolated from the Arnebia euchroma (Royle) Johnst. and their anti-proliferative activities in HaCaT cells68
Effect of binding pockets on the kinetics and thermodynamics of Diels-alder reaction in cucurbit-Uril family68
Regioselective synthesis of spirooxindole-pyrolidine via (GAP) chemistry process: Experimental and DFT study68
Editorial Board67
Synthesis, structural-spectral characterization and theoretical studies of Pyridinium-4-carbohydrazide (2R,3R)-2,3-dihydroxybutanedioate67
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