Journal of Molecular Structure

Article	Citations
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 antibiotic	258
Tautomerism of herbicides metribuzin, diclosulam and clethodim: evaluation of different parameters for structure assignation	240
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 biolog	157
Design, molecular docking and antimicrobial assessment of newly synthesized p-cuminal-sulfonamide Schiff base derivatives	149
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) comple	140
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-carboxylate	131
Biocatalyst mediated green approach for 1,8-dioxo-octahydroxanthenes: SCXRD, Hirshfeld analysis and DFT studies as inhibitors of HIV reverse transcriptase	121
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)	114
Evaluation of gradient boosting and deep learning algorithms in dimuon production	113
Probing the Fermi resonance of pyridine surrounded by hydrogen bonding network by density functional theory	106
Solid-form screening and absolute structure determination of antithrombotic diastereomers S007–867 and S007–1175	105
Synthesis of selenium-based BOPHY sensor for imaging of Cu(II) in living HeLa cells	98
New degradable PCL/thiazole composite for biological applications; characterization and spectroscopic studies	92
Synthesis of spirobifluorene derivatives via metal catalyzed C N and C C cross couplings: useful substrate for cadmium ion sensing	92
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 studie	88
Zn(II) complexes with pyridyl-based 1,3-selen/thiazolyl-hydrazones: A comparative study	88
Investigations on synthesis, growth, crystal structure, thermal, Dielectric and Terahertz Transmission properties of Organic NLO Crystal : (2-(2-hydroxy-3-methoxystyryl)-1-methylquinolinium-4-methylbe	88
Improved singlet oxygen generation of axially ruthenium(II) complex substituted silicon(IV) phthalocyanine by sono-photochemical studies	85
Stereo and regioselective synthesis, structural elucidation and antibacterial activity of novel spiropyrrolidine embedded with two units of oxindoles	85
Synthesis of novel substituted quinoline derivatives as diabetics II inhibitors and along with their in-silico studies	84
Chemical kinetic properties of HNgF → HF + Ng (Ng = Ar, Kr, Xe, and Rn) reactions: An example of fortuitous cancelling of relevant relativistic effects	84
Novel synthesis, structural characterization, DFT and TDDFT investigation of ‘Butterfly’ like Ag(I)- complex supported by 3-pyrazinyl [1-methyl)imidazolium hexaflurophosphate	83
Tautomer distributions of N-acetyl-D-glucosamine in the condition of commonly utilized solvents and catalysts for biorefinery: NMR study	82
Self-assembly of semiconductor quantum dots with porphyrin chromophores: Energy relaxation processes and biomedical applications	82
Rational design and synthesis of organic-inorganic hexavanadate hybrids with p-halogenated benzoyl ligands	82

pH-induced structural variations of two new Mg(II)-PDA complexes: experimental and theoretical studies	81
Antileishmanial activity of 3,4,5-trisubstituted isoxazoles by interaction with Leishmania amazonensis plasma membrane	80
Crystal structure and photo-physical properties in a perovskite–type semiconducting hybrid phase: {(m-C6H7N2O2)2CdCl4}n	79
Isostructural Hg(II) halide coordination polymers: A comparison of powder XRD, IR, emission and Hirshfeld Surface Analysis	79
Reactivity of hemilabile 2-pyridylselenolate ligand towards [NiCl2(dppe)]: Combined experimental and theoretical study	78
RETRACTED: Two new Cd(II) coordination polymers: Luminescent, photocatalytic properties and application values on children bronchopneumonia	77
Crystalline aloe-emodin reduce β-amyloid-induced toxicity in Caenorhabditis elegans with visualization of ingestion	77
Analysis of the effects of trifluoromethyl group on the conformational properties of meta substituted thioacetanilide	76
One pot facile synthesis of flavanoidal oxadiazinanones: In vitro antibacterial activity, docking and MD simulation using DNA gyrase	76
Thermodynamic profile and molecular modeling of the interaction between Grb2 dimer and flavonoids Rutin and Morin	76
Keto-enol tautomerism, spectral (infrared, Raman and NMR) studies and Normal coordinate analysis of 4-Methyl-2-hydroxyquinoline using quantum mechanical calculations	76
Manipulation of m = 1 topological disclination line core structure	76
Crafting copper complexes of variable nuclearity and coordination geometry through solvent tailoring: Unveiling novel structure, magnetic insight and computational marvels	75
Chemo- and regioselective controlled synthesis and thermal analysis characterization of trifluoromethyl polypyrazoles	74
Binaphthanol-derived emitters with aggregation-induced emission, acidochromic and chiral optical properties	74
Tuning the fluorescence emission of water-stable CsPb(Br/I)3 perovskite nanocrystal probes for naked-eye visual detection of mercury ion	74
Synthesis of 2,3-dihydroxy-3-(N-substituted carbamoyl)propylphosphonic acid derivatives as hybrid DOXP-fosmidomycin analogues	71
Isatin derived morpholine and piperazine derivatives as acetylcholinesterase inhibitors	71
Synthesis and characterization of aza[7]helicenes	70
Regio- and stereoselective synthesis of dispiropyrrolizidines through 1,3-dipolar cycloaddition reaction: Inhibition of KRAS expression	70
Synthesis and characterization of cinnamic acid based glyceride and its application for developing self-nanoemulsifying drug delivery system for curcumin oral delivery	70
Synthesis, bright red-emitting and low thermal quenching behavior of europium(Ⅲ)-activated sodium borophosphate phosphor	70
Easy obtention of tin(II) complexes by using semicarbazones in their hydrochloride forms	70
A computational study on the second-order nonlinear optical response of a new unsymmetrical oxovanadium complex	69
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)	69
Spectroscopic and microscopic studies of Co, Ce, and Pd containing gamma-alumina as catalysts for cyclohexene oxidation	69
Influence of UV-modified GTR on the properties of interlocking concrete paving units	68
Molecular structure, quantum chemical and spectroscopic properties of 2,6–dibromonaphthalene by density functional theory calculations	68
Synthesis, crystal structure and metal ion sensing ability of novel 4-amino-3-nitroso-2H-chromen-2-one: Interaction studies with calf thymus-DNA	68
Phase behaviour of n-CB liquid crystals confined to controlled pore glasses	67
Fused double oxazolidine vs Imine ligands and Zn-complexes formation: Experimental and theoretical calculations	67
A novel triphenylamine-furan hydrazone-based sensing of Cu2+ ions and imaging in cancer cells	67
Multiple stoichiometric methods combined with FT-IR spectroscopy for screening new medicinal parts from Dictamnus dasycarpus Turcz with pronounced antioxidant potential	67
Visible-light-mediated synthesis, NMR analysis and X-ray crystal structure of dihydrocyclobuta[b]naphthalene-3,8-diones	66
Synthesis, Structure and DNA-binding Property of a 14 Nuclear Silver(I) Ferrocenylacetylide Cluster	65
Site-differentiated ligand substitutions of the incomplete-cubane type W-Fe-S clusters	65
A homochiral Nickel(II) complex [Ni(P'N)2]Cl2: Synthesis, characterization, crystal structure, luminescence, DFT and Hirshfeld surface studies	65
Synthesis, crystal structure and thermal properties of energetic complex Ni(Ⅱ) and Cd(Ⅱ) based on bis(5-nitroimino-1,2,4-triazole-3-yl) methane	64
A novel cocrystal of indole-3-propionic acid and nicotinamide: Structure design, preparation, characterization and preliminary physiochemical properties evaluation	64
Structural development of curcumin: A natural product arsenal for diverse therapeutic targets- seizing opportunities through serendipity and rational design	64
Preparation and solid-state characterization of two novel berberine chloride cocrystals with benzene derivatives	64
Nano NiFe2O4 supported phenanthroline Cu(II) complex as a retrievable catalyst for selective and environmentally friendly oxidation of benzylic alcohols	64
Corrigendum to ‘Synthesis, molecular docking, anti-cancer activity, and in-silico ADME analysis of novel spiroacenaphthylene pyrrolizidine derivatives’	64
Experimental and computational investigation of a novel organic cation hexachlorostannate (IV) material (CHNO)(SnCl)	63
Isolation and identification of sesquiterpenes from the aerial parts of Chloranthus japonicus and their chemosensitizing activities on U2 OS cells	63
Benzothiazole-based D-A-D type dichroic dyes for dimming devices	63
Facile synthesis of substituted 2-styrylnaphthyridine derivatives via sp3 C-H functionalization under mild conditions and their antimicrobial activity and Electrochemical properties	63
A water-soluble indole-based dual-channel fluorescence sensor for sulfur dioxide and human serum albumin detection	62
Unexplored σ-hole and π-hole interactions in (X2CY)2 complexes (X = F, Cl; Y = O, S)	62
Growth dynamics of sodium nitrate incorporated acetamide crystal'sbiomedicinal profile: Anticancer, antidiabetic, antioxidant activities	62

Green synthesis of benzimidazoles via the palladium catalyzed one-pot reductive coupling of nitroarylamines with nitriles	62
Preparation of cellulose-based carbon aerogel composite zinc oxide nanomaterials and their photocatalytic properties	62
The effect of halo-substituents on physical properties based on 1,3,5-triarylbenzenes: Synthesis, crystal structure and Hirshfeld surface	62
Novel nonsymmetrically benzimidazolium salts and their silver(I)-N-heterocyclic carbene complexes: Synthesis, DFT study and Anticancer activities	62
New naphthoquinones isolated from the Arnebia euchroma (Royle) Johnst. and their anti-proliferative activities in HaCaT cells	62
Regioselective synthesis of spirooxindole-pyrolidine via (GAP) chemistry process: Experimental and DFT study	61
Synthesis of novel of Mn(II), Co(II), and Cu(II) Schiff base complexes and their high catalytic effect on bleaching performance with H2O2	60
Effect of binding pockets on the kinetics and thermodynamics of Diels-alder reaction in cucurbit-Uril family	60
Editorial Board	60
Synthesis, configurational analysis and antiviral activities of novel diphenylacrylic acids with caffeic acid as the lead compound	60
Synthesis, structural-spectral characterization and theoretical studies of Pyridinium-4-carbohydrazide (2R,3R)-2,3-dihydroxybutanedioate	60
Editorial Board	60
Synthesis, single crystal, in-silico and in-vitro assessment of the thiazolidinones	59
A colorimetric and turn-on fluorescent sensor for rapid and selective detection of Fe3+ ion based on azo compound of 4-((4-(dimethylamino) phenyl)diazenyl)-N-(pyridin-2-yl)benzamide	59
Structural conformation and coordination architecture investigation in the solvent induced cis Cu(II) complex containing fluorine-substituted β-diketonate ligand	59
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”	59
Development of therapeutic deep eutectic solvent with anti-oxidant and anti-microbial properties for potential pharmaceutical applications	58
Experimental proof for σ and π-hole driven dual pnicogen bonding in phosphoryl chloride-nitromethane heterodimers: A combined matrix isolation infrared and ab initio computational studies	58
Synthesis of polysubstituted spiroazepines via [4 + 3] annulation reaction of ninhydrin-derived Morita−Baylis−Hillman carbonates with 1‑heterodienes	58
Noncovalent interactions and electron transfer between 1,3,5-trinitro-1,3,5-triazinane and Al3O3−	58
New Schiff base ligands and their homoleptic Co(II)/Cu(II) complexes: synthesis, characterization and photocatalytic properties for degradation of methylene blue	57
Cytotoxic, antimicrobial, and angiogenesis inhibition activity of novel Cobalt(II) complexes of substituted benzimidazole: Molecular docking simulation and Inhibition kinetics	57
Exploring the electronic and NLO properties of hydrazinylthiazoles based carboxylates: Synthesis, spectroscopic and DFT studies	57
A novel orange red emitting Li2Ba3(P2O7)2:VO2+ nanophosphor for high CRI LED applications using wet-chemical synthesis	57
Construction of cucurbit[8]uril-based metal supramolecular framework for efficient iodine adsorption	57
Anticancer activity of new triazolopyrimidine linked coumarin and quinolone hybrids: Synthesis, molecular modeling, TrkA, PI3K/AKT and EGFR inhibition	56
Novel Zinc and Vanadium (V) Hydroquinonate Complexes: Synthesis and Biological Solution Evaluation	56
Magnetically recyclable nano-sized Fe3O4@TiO2 heterogeneous photocatalyst for 2-substituted benzimidazoles synthesis under visible light	56
Hybrid sulfonyl hydrazone compound containing thiotetrazole: Synthesis, characterization, potential ALS enzyme inhibitor property, and in silico studies	56
Synthesis, crystal structure and Near-infrared luminescence of rare earth metal (YIII, ErIII, HoIII) complexes containing semi-rigid tricarboxylic acid ligand	56
Sonochemical replacement of C-3 hydrogen of indole by a pyridine ring: Docking, synthesis and in vitro evaluation of 3-(6-aryl pyridin-2-yl)indoles against SIRT1	56
Effects of Femtosecond UV Laser Pulses on the Structure and Surface Dynamics of Medicinal Plants DNA, Monitored by Surface-Enhanced Raman Spectroscopy	56
2-azidobenzaldehyde: A versatile scaffold for the generation of N‐heterocyclic compounds	56
Comprehensive studies of spiropyrrolidines towards spectroscopic characterization, X-ray diffraction, Hirshfeld surface and DFT computations	55
Alcohol-bridged dinuclear dysprosium single-molecule magnets	55
A benzyl carbazate-based colorimetric chemosensor for relay detection of Cu2+ and S2− in near-perfect aqueous media	55
Synthesis, crystal structure, and chromotropism properties of Dihalo N-2-ethanolpicolylamine copper(II)	55
Synthesis, characterization, theoretical, and antimicrobial studies of indenoquinoxalin-based ligands and their reactions with CuBr(PPh3)3	55
Synthesis, characterization, crystal structure, molecular docking, and biological studies of Cu, Ni and Co metal complexes of pyrazole	55
Experimental and theoretical investigation of cyclohexane halogenation catalysed by mono- and trinuclear Cu(II) complexes	55
Synthesis, characterization, non-linear optical and DNA binding properties of a Schiff base ligand and its Cu(II) and Zn(II) complexes	55
Electrochemical, photocatalytic and biological investigation of carbaldehyde derived azo dye ligand and its Co(II), Ni(II), Cu(II) complexes	55
A novel thermally-activated delayed fluorescent probe based on hydroxyl as identify group for detection of iron ions	54
Theoretical study of double antiaromatic structure - cyclo[16]carbon	54
Synthesis, physico-chemical characterization and quantum chemical studies of 2, 3-dimethyl quinoxalinium-5-sulphosalicylate crystal	54
Iodides and polyiodides of l-arginine	54
Schiff base-type copper(I) complexes exhibiting high molar extinction coefficients: Synthesis, characterization and DFT studies	54
Preparation and application of Bi4O7/Cu-BiOCl heterojunction photocatalyst for photocatalytic degradation of tetracycline under visible light	54
Synthesis, crystal growth and characterization of piperazinium 5-nitrosalicylate (P5NS) single crystal for nonlinear optical (NLO) applications	53
Synthesis, structure, optical and thermal analysis of the new compound of the new compound organo-metallic (C5H6N)2TeCl6	53
Synthesis, structural, spectroscopic and thermal studies of a decavanadate complex (C4NH10)4[H2V10O28].2H2O	53
Crystal structure, powder X-Ray diffraction, Hirshfeld, thermal, Infrared-Raman studies, and symmetry analysis of the relationship between the novel tetragonal [(CH3)4N]2SiF6 and the cubic Fm3m antifl	53
Novel Schiff base decorated cyclotriphosphazene chemosensors for Fe and Cu ions detection	53
Experimental and theoretical studies on a salamo-derived biscompartmental ligand and its rare tetranuclear Zn(II) complexes containing solvent effect	53
Synthetic modifications of therapeutically relevant pre-assembled cucurbitacins: Synthetic strategies and structure-activity relationships	53
Intramolecular resonance assisted N–H⋅⋅⋅O=C hydrogen bond and weak noncovalent interactions in two asymmetrically substituted geminal amido-esters: Crystal structures and quantum chemical exploration	52
Raman spectroscopic study of cinnamyl-1 diphenylmethyl-4 piperazine (Cinnarizine) at high pressure	52
The synthesis of quaternary N-alkyl tropinium cationic surfactants and study on their properties: effect of temperature, hydrophobic chain length and anions	52
A novel dual three and five-component reactions between dimedone, aryl aldehydes, and 1-naphthylamine: synthesis and computational studies	52
A theoretical and experimental study on etherification of primary alcohols with the hydroxyl groups of cellulose chain (n = 1–3) in acidic condition	52
Molecular structure aspects and molecular reactivity of some triazole derivatives for corrosion inhibition of aluminum in 1 M HCl solution	52
Emerging silver-doped strontium titanate nanostructures as photocatalysts for the degradation of organic pollutants under visible light	52
Quinoline-1,2,3-triazole hybrids: Design, synthesis, antimalarial and antimicrobial evaluation	52
Free radical scavenging behaviour of the plant-beneficial secondary metabolite 2,4-diacetylphloroglucinol derivatives under physiological conditions: A joint experimental and theoretical study	52
Room temperature palladium-catalyzed synthesis of novel unsymmetrical diamide scaffolds containing moieties of α-ketoester as potential antibacterial, antifungal and anticancer agents	51
Matrix infrared spectroscopic and ab initio investigations of methylamine-CO2 and methylamine-CO2-water complexes	51
First fluorine doping of In2O3 films and its crucial role in enhancing photocatalytic activity	51
Exploration of modified β-cyclodextrin compounds as enhanced eco-friendly and easily accessible corrosion inhibitors for carbon steel in hydrochloric acid	51
Novel 1,3,4-oxadiazole-2- thiol derivatives: Unlocking the therapeutic potential as anti-inflammatory and anticancer agents	51
Synthesis and properties of copper doped zinc oxide thin films by sol-gel, spin coating and dipping: A characterization review	51
Indapamide analogue a promising drug: Synthesis, a novel crystal structure, HSA/DFT/XRD, greener pastures biological study	51
Synthesis, characterization of new heterocyclic compound: pyrazolyl hydrazino quinoxaline derivative: 3-[5-(hydroxy1methyl)-1-phenylpyrazol-3-yl]-2-[2, 4, 5-trimethoxybenzylidine] hydrazonyl-quinoxali	51
Theoretical investigation on CO oxidation by single nickel atom within two-dimensional porphyrin sheet	51
Influence of buffer layer on optoelectronic properties of B-Mg co-doped ZnO ultrathin film for high-performance transparent conductor application	51
Water adsorption and framework evolution in AlPO4-5: An infrared spectroscopic study	50
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	50
Ratiometric fluorescence sensing of hypochlorite ion by dansyl hydrazine - Spectroscopic and TD-DFT studies	50
Chelated calcium 1D coordination polymer: Crystal growth, characterization and Z scan studies	50
Influence of electron density on the biological activity of aniline substituted Schiff base: in silico, in vivo and in vitro authentication	50
Selective recognition of Pb(II) and Cr(III) by novel maleic hydrazide-based 1,2,3-triazole linked derivatives	50

Synthesis, crystal structure, spectral properties, molecular docking, and Hirshfeld surface analysis of [Ru(bpy)2(NHC)(AN)]+2	50
One-pot synthesis of diverse isoindolobenzoxazinone and isoindoloquinazolinone derivatives through a transition metal-free cascade cyclization	50
DFT calculations of photophysical properties of ethylen-dioxy-thiophen derivatives oligomers with optoelectronic functionalities	49
Analysis of boronic acids containing amino ferrocene by DFT approach and in silico studies	49
Influence of counter ions on supramolecular structures of copper(II) complexes derived from 1,8-naphthalimide tecton	49
Antioxidant capacity measurement based on κ-carrageenan stabilized and capped silver nanoparticles using green nanotechnology	49
Spectroscopic properties, crystal structure, Hirshfeld surface analysis and DFT study of a new Cu(II) complex based on quinazolinone O,N,O-donor ligand	49
Knoevenagel condensation of acetonedicarboxylates with aldehydes	49
Combined synthetic and solubility aspects of orotate salt of bilastine	49
Synthesis of benzopyrans and evaluation of cytotoxicity against ER-MCF-7 cell lines	49
Synthesis, spectral characterization, DFT-computational analyses on Novel 4-nitrobenzenaminium benzenesulfonate (4NBASA) crystal	49
Synergistic behaviour of silatrane functionalized perylene diimide dye and carbon quantum dots for enhancing photovoltaic performance	49
Experimental and theoretical investigation of structure-magnetic properties relationships in a new heteroleptic one-dimensional triple bridged azido/acetato/DMSO copper (II) coordination polymer	49
Synthesis, crystal structure, DFT and Hirshfeld surface analysis of Ni(II) complexes: Precursor for nickel sulfide nanoparticles	49
Molecular docking and DFT studies of a series of tetrazole derivatives and computational studies of Fe3O4@Phenyl phosphate creatine	48
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	48
Characterization and luminescence properties of Eu3+ doped BaCO3 nanoparticles synthesized by autocombustion method	48
Trinuclear nickel (II) string complexes and copper (II) coordination polymer with pyrazine modulated unsymmetrical dipyridylamino ligand: Synthesis, structure and bioactivity properties with molecular	48
In-situ grown MXene@PDA/MOF composites constructed electrochemical sensor for detecting trace l-cysteine	48
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	48
Synthesis, quantum mechanical calculations, antimicrobial activities and molecular docking studies of five novel 2,5-disubstituted benzoxazole derivatives	48
Controlled aggregation of unsymmetrical amphiphilic perylene diimide derivative into nanosheets	48
X-ray crystallography, molecular structure investigation, quantum chemical studies, and molecular dynamic of rheosmin as inhibitors of hemorrhagic Lassa Virus	48
A 3D supramolecular network built by tetranuclear Ag(I) clusters: Insights from DFT applications and study of cytotoxicity, oxidative stress in HLCs, MCF-7 cells	48
Highly enantioselective [3+2] annulation of 4-amino-isoxazoles with quinone monoimines to access structurally diverse isoxazoline fused dihydrobenzofurans and antifungal evaluation	48
Doxorubicin-loaded mPEG-pPAd-mPEG triblock polymeric nanoparticles for drug delivery systems: Preparation and in vitro evaluation	48
Nanogels: An overview of properties, biomedical applications, future research trends and developments	48
Novel tetradentate N2O2 water-soluble Schiff Base and its Al(III) complex: Synthesis, structural characterization, and correlations between structure and stability against hydrolysis	48
New acetophenone scaffolds: Synthesis, antifungal activities, biocompatibility, molecular docking, ADMET analysis and dynamic simulations	47
Adsorption of Pb(II) ions from aqueous solutions by magnetite (Fe3O4) nanoparticles functionalized with two different Schiff base ligands	47
Enhanced phase transition temperature achieved by CH3/H substitution in Sn-based perovskite	47
Synthesis, characterization, DFT calculations, protein binding and molecular docking studies of mononuclear dioxomolybdenum(VI) complexes with ONS donor ligand	47
A promising platform for the rapid and sensitive sensing of mercury ion and its applications in biological and environmental system	47
Fourier transform infrared and Raman spectra of the complex cation diethyldithiocarbamate Cr(III) Di-hydrate, [Cr(DDTC)2(OH2)2]+. UV-Vis spectrum, DFT:B3LYP/6-311G(d, p) structural determination, vibr	47
Investigation of embelin synthetic hybrids as potential COVID-19 and COX inhibitors: Synthesis, spectral analysis, DFT calculations and molecular docking studies	46
A new zero-dimensional (0D) hybrid bismuth (III) halide: Synthesis, crystal structure, thermal analysis, photophysical properties and DFT calculations	46
Nano-Pd/SiO2 aerogel catalyst prepared via ambient pressure drying process using perlite powder in hydrogenation and cross-coupling reactions	46
Effect of sodium dodecyl sulfate on the dielectric and electrical properties of poly (vinylidene fluoride)-zinc ferrite composites	46
Synthesis, spectroscopic characterization, and prevention of carbon steel corrosion in hydrochloric acid of a new bis-isoxazoline-carvone	46
Structural (X-ray), spectroscopic (FT-IR, FT-Raman) and computational (DFT) analysis of intermolecular interactions in 1H-indazole-3-carbaldehyde	46
Synthesis, spectroscopic (FT-IR, UV–visible) study, and HOMO-LUMO analysis of adenosine triphosphate (ATP) doped trivalent terbium	46
Experimental and computational studies on copper(II) Schiff base complex derived from 4-acetyl-3-methyl-1-phenyl-2-pyrazolin-5-one	46
Experimental and computational chemistry investigation of the molecular structures of new synthetic quinazolinone derivatives as acid corrosion inhibitors for mild steel	46
Synthesis, single crystal X-ray analysis and vibrational spectral studies of 3,4-di(1H-indol-3-yl)-1H-pyrrole-2,5‑dione	45
Design and synthesis of anti–inflammatory 1,2,3–triazolylpyrrolobenzodiazepinone derivatives and impact of molecular structure on COX–2 selective targeting	45
Dysprosium (III) Supported on CoFe2O4 MNPs as a Heterogeneous Catalyst for the Selective Oxidation of Sulfides and Synthesis of Symmetrical Disulfides	45
Copper and silver nano-schiff base complexes: Efficient catalysts for triazole synthesis and antimicrobial assessment	45
Optical properties of transition metals complex films derived from hydrazone oxime for optoelectronic devices	45
The effect of phosphoric acid on the properties of activated carbons made from Myrtus communis leaves: Textural characteristics, surface chemistry, and capacity to adsorb methyl orange	45
Synthesis and characterization of sodium iron pyrophosphate (NaFeP2O7) powder	45
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)].CH2Cl2	45
Synthesis, Structural Characterization, DFT Calculations, and Molecular Docking of a Novel Quinoline Derivative	45
T-shaped CH···π and antiparallel π···π interactions of metronidazole benzoate and phenyl supporting paddle-wheel manganese(II) and zinc(II) carboxylate complexes: Structural, spectroscopic, and theore	45
Eu3+-anchoring Zirconium-organic framework for enhancing fluorescence sensing detection sensitivity towards Cr(VI) ions	45
Two unique M-MOFs (M:Zn, Mn) based on various metal-oxygen chains for good sensitivity sensing and magnetic properties	45
Synthesis, anti-proliferative activity, gene expression, docking and DFT investigation of novel pyrazol-1-yl-thiazol-4(5H)-one derivatives	45
Tuning electrochemical behavior and band gap energy of ammonium phosphomolybdate/polymer composite and facilitate reduction of Cr(VI) in contaminated water	45
Exploring the polymorphism of selective androgen receptor modulator YK11	44
Pyrene aroylhydrazone-based Pd(II) complexes for DNA/protein binding, cellular imaging and in vitro anticancer activity via ROS production	44
Versatile biological activities of thiosemicarbazones and their metal complexes	44
In situ reduction and self-alignment of reduced graphene oxide/poly(vinylidene fluoride) composite films: Toward high dielectric constant and suppressed loss	44
A carbon quantum dot based on tetramethyl substituted cucurbit[6]uril and 2,7-dihydroxynaphthalene: Selective detection of Fe3+, ClO−and I−	44
Facile synthesis, pharmacological and In silico analysis of succinimide derivatives: An approach towards drug discovery	44
Sonochemical synthesis of Mn0.5Zn0.5ErxDyxFe2-2xO4 (x ≤ 0.1) spinel nanoferrites: Magnetic and textural investigation	44
Synthesis, X-ray crystallographic analysis, DFT studies and biological evaluation of triazolopyrimidines and 2-anilinopyrimidines	44
Conformational polymorphs and solvates of 1-(6-aminopyridin2-yl)-3-phenylthiourea	44
Novel thiadiazol derivatives; design, synthesis, biological activity, molecular docking and molecular dynamics	43
A straightforward synthesis of methylenebisamides from amides and DMSO with a substoichiometric amount of (COCl)2	43
A red emission tetraphenyl ethylene-fused rhodamine dye for viscosity sensing and mitochondria-targeted cell imaging	43
One-pot multicomponent synthesis and antimicrobial evaluation of steroidal benzo[4,5]imidazo[1,2-a]pyrimidines with hemolytic assay and molecular docking studies	43
Investigating two structurally different penta-coordinated trigonal bipyramidal Co(II) non-symmetric salamo-type complexes	43
Two new multifunctional coordination polymers based on N-heterocyclic carboxylic acid ligand: Syntheses, structures and properties	43
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	43
Structure and optical properties of new nitro-derivatives of 2-N-alkiloamino-picoline N-oxide isomers	43
A precise flexible printed biosensor based on graphene ink decorated with N-doped graphene quantum dots	43
Synthesis and characterization of molybdenum trioxide with an orthorhombic crystal structure for supercritical water gasification application	43
Synthesis of new pyrazolidines by [3+2] cycloaddition: Anticancer, antioxidant activities, and molecular docking studies	43
Synthesis, spectral characterization, crystal structure and catalytic activity of a novel dioxomolybdenum Schiff base complex containing 4-aminobenzhydrazone ligand: A combined experimental and theore	43
Square-planar nickel/copper(II) complexes of (E)-2-(((2-ethylphenyl)imino)(phenyl)methyl)phenol: Supramolecular analysis, keto-enol tautomerism, polymorphism and antibacterial activities	43
Ultrasonic assisted reverse micelle synthesis of a novel Zn-metal organic framework as an efficient candidate for antimicrobial activities	43
Small molecule N-heteroatomic fluorophores: Bridging chemistry, principles and photophysical properties for biomedical applications	43
FT-IR, UV–Vis, density functional theory and molecular docking studies on 3,7,11,15-Tetramethyl-2hexadecen-1-ol	43
Exploring 2-Pyrazoline derivatives as potent antidiabetic agents and cholinesterase inhibitors: Their synthesis and molecular docking studies	42
Experimental and theoretical examinations of triazole linked saccharin derivatives as organic corrosion inhibitors for mild steel in hydrochloric acid	42
An insight into the recent developments in anti-infective potential of indole and associated hybrids	42
Comparative analysis of the interaction of oroxylin A with two sources of α-glucosidase and α-amylase	42
N-(2,7-dimethyl-2-alkyl-2H-chromen-6-yl)sulfonamide derivatives as selective serotonin 5-HT6 receptor antagonists: Design, synthesis, and biological evaluation	42
Synthesis and characterization of new purple and green heterocyclic dyes for dye-sensitized solar cells	42
Qualitative and semi-quantitative phase analysis of TiO2 thin layers by Raman imaging	42
Effect of the bifunctionalization of aminomethylphosphonic acid on the structural, electronic, vibrational, thermodynamic and antioxidant activity: Microwave-assisted synthesis, Density Functional The	42
Luminescence properties, tunable emission and energy transfer of Na3Sc2(PO4)3: Sm3+, Bi3+ phosphors	42
Microwave-assisted synthesis, characterizations, antimicrobial activities, and DFT studies on some pyridine derived Schiff bases	42
Green synthesis and characterization studies of biogenic zirconium oxide (ZrO2) nanoparticles for adsorptive removal of methylene blue dye	42
Synthesis, crystal structure, Hirshfeld surface analysis and theoretical investigation of polynuclear coordination polymers of cobalt and manganese complexes with nitrobenzene and pyrazine	42
Modified pyrido[2,3-d]pyrimidin-4(3H)-one derivatives as EGFRWT and EGFRT790M inhibitors: Design, synthesis, and anti-cancer evaluation	42