Journal of Chemical Sciences

Papers
(The TQCC of Journal of Chemical Sciences is 4. 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 2022-01-01 to 2026-01-01.)
ArticleCitations
Photochemistry of an alpha lipoic acid-based drug and its application in dual sensing of Fe(III) and Pb(II) and logic gates49
EDA-NOCV analyses of M−E2 bond: E2 binding and activation [E2 = N2, H2]38
High-resolution rovibrational cavity ring-down spectroscopy of (1200←0200) vibrational band of β-site-specific N2O isotopologue near 7.8 µm region29
Effect of boron halogenation on dihydrogen bonds: A quantum mechanical approach21
Multicomponent regioselective synthesis of 7-aryl-5-methyl- and 5-aryl-7-trifluoromethyl-2-amino-3-(4′-arylazo)-pyrazolo[1,5-a]pyrimidines and their cytotoxic evaluation21
Self-assembled discrete and polymeric cobalt(II) complexes of a carboxylate appended tripodal tetradentate ligand: reactivity with aerial dioxygen or aqueous hydrogen peroxide20
Targeting growth of breast cancer cell line (MCF-7) with curcumin-pyrimidine analogs20
Synthesis and characterization of Mn-Co co-doped TNU-9 denitration catalyst with high activity20
Zinc ferrite as reusable and green catalyst for synthesis of quinoxaline derivatives19
Intensification of n-octyl acetate synthesis over H5PW10V2O40/FAC catalyst using ultrasound-assisted reactor19
Accurate binding energy of first row transition metal cations (Mn2+, Fe2+, Co2+, Ni2+, Cu2+, and Zn2+) and dichalcogen (S and Se) bridges18
Core-shell structured Fe3O4@MgO: magnetically recyclable nanocatalyst for one-pot synthesis of polyhydroquinoline derivatives under solvent-free conditions17
Enhanced oxygen evolution reaction activity of Ni(OH)2 nanosheets via the modified effect of sulfur17
Switching the regio-, stereo- and enantioselectivity in L-proline catalyzed asymmetric Mannich reaction: A case study of H-acceptor and H-donor solvents17
Stereodynamic origin of mode selectivity in the $$\textbf{NH}_{3}$$ $$\varvec{+}$$ F $$\varvec{\longrightarrow}$$ $$\textbf{NH}_{2}$$ $$\varvec{+}$$ HF reaction16
First-principles DFT study on the interaction of non-metal oxides with water cluster16
The synthesis of sutezolid and eperezolid using proline catalyzed α-aminoxylation of an aldehyde15
An efficient and environmental friendly synthesis of 1H-pyrazolo[1,2-b]phthalazine-5,10-dione in aqueous hydrotropic medium15
Corrosion inhibition behavior of the synthesized pyrazoline-sulfonamide hybrid of mild steel in aqueous solutions: experimental and quantum investigations15
Synthetic access to thiols: A review15
Topological analysis of non-conjugated ethylene oxide cored dendrimers decorated with tetraphenylethylene: Insights from degree-based descriptors using the polynomial approach14
Assay of biotin in pharmaceuticals utilizing its inhibitory effect on Pd(II) catalyzed ligand substitution reaction14
Editorial13
Selective detection of Cu2+ by benzothiazole-based colorimetric chemosensor: a DFT study12
A novel organic fluorescent material: synthesis, structures and optical response properties12
Detection of ultrafast solvent dynamics employing a streak camera12
Nested Monte Carlo simulation of ionic systems with the primitive model using Debye-Hückel (DH) potential as an importance function and optimizing the DH potential with Kullback-Leibler divergence min11
Pyrene-tethered self-assembled supramolecular system demonstrating vesicular structures and aggregation-induced emission: synthesis, assembled studies and morphology11
Synthesis of Au–Pd@CeO2 nanocomposite as a potential catalyst for the Buchwald–Hartwig cross-coupling and amination of benzyl alcohol reactions11
Understanding pH Tailored Photophysical Properties of a $${\varvec{\pi}}$$-Conjugated Aryl Hydrazone-Derived Dye for Sensing Application11
Role of molecular modelling in the development of metal-organic framework for gas adsorption applications11
Formation of dicyano ruthenium(II) complex mediated by triethylamine via deprotonation of hydrazonochroman-2,4-dione11
High-Performance rGO-ZnO/WO3 heterojunction photocatalyst for solar green hydrogen generation10
Activation of water at disiladicarbene: from the perspective of modification of silicon surface with organo-silicon compounds10
Geometrical structure and stability of buckminsterfullerene complexes containing mono- and poly-atomic molecules10
Palladium-catalyzed site-selective arylation of alkyl 2,4- and 2,5-dihalobenzoates with aryl titanium reagents10
High-resolution spectroscopic probing of allowed and forbidden ortho- and para-nuclear spin-isomers of NH310
Stability and morphology of cyanonaphthalene icy mantles on ISM cold dust analogues9
Potassium tert-butoxide promoted a direct one-pot synthesis of nitriles from aldehydes at room temperature9
A single electrolyzer-making amides and α-ketoamides together: A “sweet fusion” of electrocatalysis and chemocatalysis!9
How good is the time-dependent DFT method for simulating anionic shape resonances of DNA nucleobases?9
PPIscout: Protein–protein interaction site hotspot mapping using mixed amino acid–water molecular dynamics simulation9
High-performance scavenging of Nd (III) and Sm (III) from water by a copper-based metal-organic framework HKUST-19
Scope and limitations of the combination of cobalt catalyst and choline hydroxide as green media for Sonogashira coupling and hydration of nitriles9
Functionalized multi-walled carbon nanotube thin-layered hollow fiber membrane for enantioselective permeation of racemic β-substituted-α-amino acids8
Interplay between complexation and dynamical heterogeneity in alkylamide deep eutectic solvents8
Diruthenium(II)diacetylide organometallic complexes with thienylethynyl bridging units: Synthesis, characterization and electrochemical properties8
Theory of impedance for initial corrosion of metals under a thin electrolyte layer: a coupled charge transfer-diffusion model8
Theoretical investigation of copper clusters using the electron propagator theory8
Exciton transport in photosynthetic complex dimers8
Modulating magnetic exchange and magnetic anisotropy in {3d–4f} complexes using external electric field8
Improved bioactivities of curcumin pyrazole and its HP$$\beta$$CD inclusion complex compared to curcumin8
Metal-mediated reactions of bromoform with electron-rich and electron-deficient carbon-carbon and carbon-hetero atom multiple bonds8
Structural and electrical properties of M-doped TiO2 (M = Ni, Cu, Zn) relevant to their application as electrolytes for solid oxide fuel cells8
Superior efficacy of biocomposite membranes of chitosan with montmorillonite and kaolin vs pure chitosan for removal of Cu(II) from wastewater8
Synthesis, cytotoxic evaluation and ct-DNA binding of series of 1,4-disubstituted anthraquinone-sulfonamide conjugates7
Understanding the effect of metal-oxygen bond covalency on anionic redox activity of Na-ion-based cathode materials through first-principles7
Carbazole-based photocatalyst (4CzIPN) as a novel donor-acceptor fluorophore-catalyzed visible-light-induced photosynthesis of dihydropyrano[2,3-c]pyrazole scaffolds via a proton-coupled electron tran7
Photodissociation pathways in the simplest Criegee intermediate: a semi-classical investigation7
Dissolvable layered microneedle patch containing 5-fluorouracil for localized treatment of oral carcinoma7
Synthesis of Au/Cu2O/graphene quantum dots nanocomposites and its application for glucose oxidation7
Investigation of the electrochemical properties of benzo[k]fluorenthene using a glassy carbon electrode and development of a square-wave voltammetric method for its quantification7
Tuning the oxygen electrocatalytic performance of metal-doped graphitic carbon nitride for the development of zinc-air battery7
Critical and scaling behavior of delayed bifurcations in nonlinear systems with dynamic disorder7
Design and synthesis of C-α-D-mannopyranoside linked mesoporous silica nanoparticles7
Low energy electron interaction with citric acid: a local complex potential based time-dependent wavepacket study7
Higher harmonic anti-resonances in nonlinear coupled systems7
Role of copper in modified TiO2 for photocatalytic degradation of gaseous isopropanol from air under ultraviolet and visible light radiation7
L-Proline assisted expeditious and efficient methodology for the preparation of 2-amino-3-cyanopyridines under aqueous conditions7
Disodium Anacardate: A Bio-based Catalyst for Room Temperature Synthesis of New, Fluorescent 1, 4-Benzoxazinone and Benzophenoxazinone Derivatives7
Molecular and electronic structure analysis of [Fe(CO)4(SiX)] (X = O, S, Se and Te): a DFT study6
Jump-corrected confined Stokes–Einstein relation: An approach for simulating the viscosity of water inside a nanochannel6
Ultrasound-assisted facile and efficient synthesis of novel Benzoxazole derivatives from o-aminocardanol using Indion 190 resin as a reusable catalyst6
AgNO3-anchored Prussian blue-derived porous Ag/α-Fe2O3 heterostructure with enhanced electrochemical sensing performance towards methylparaben6
Prediction of interaction energy for rare gas dimers using machine learning approaches6
Poly (ethylene glycol)-400 crowned silver nanoparticles: a rapid, efficient, selective, colorimetric nano-sensor for fluoride sensing in an aqueous medium6
Synthesis of coumarin-linked naphthoquinone fused pyrrole derivatives by HFIP-mediated multicomponent reaction6
Ligand grafted mercaptopropyl silane functionalized copper (0) nanocluster: preparation and applications for C–O and C–N bond-forming reactions6
New cyclam based Zn(II) complexes: effect of flexibility and para substitution on DNA binding, in vitro cytotoxic studies and antimicrobial activities6
Synthetic strategies to pyrido fused heterocycles6
Towards self-driving/autonomous material discovery lab6
Supercapacitors for energy storage: Fundamentals and materials design6
ab initio study of structure and energy of Be2+⋅(CO)1−3 complexes6
2-Aminopyridine Cadmium (II) meso-chlorophenylporphyrin coordination compound. Photophysical properties, X-ray molecular structure, antimicrobial activity, and molecular docking analysis6
Green synthesis of thiocyanate functionalized carbon quantum dots as a fast and sensitive turn-on fluorescent probe for ascorbic acid detection6
Synthesis, Spectroscopic Characterization, Biocidal evaluation Molecular Docking & DFT Investigation of 16-18 membered Macrocyclic Complexes of Cobalt (II)6
Imidazole as an organocatalyst for the rapid synthesis of 1H-pyrazolo[1,2-b]phthalazine-5,10-diones in aqueous medium6
Catalytic properties of SmMnO3/cordierite monolithic catalysts: acid treatment and calcination process optimization using response surface methodology6
Why [BMIM]+[PF6]− is hydrophobic and [BMIM]+[BF4]− hydrophilic in nature? A quantum chemical investigation6
Studies on syntheses and self-assembly behaviour of homoseleno-peptides6
Synthesis, X-ray structural characterization, and electrochemical investigations on a semiconducting Ni(II) dithiolate with tris(1,10-phenanthroline)nickel(II) as counter-cation6
Details of ozonolysis of catechol at high temperature and product energy distribution6
Interplay of structure and dynamics in reaction pathways, chemical reactivity and biological systems5
Structure and lowest excitation properties of the backbone-modified GC PNA dimers5
Incorporation of Ag decorated rGO ON TiO2/dye photoanode for dye-sensitized solar cell applications5
Cu2O-CuO@Fe3O4-SiO2-imine nanostructure: Magnetically separable and efficient catalyst for quinazolinone synthesis5
Co-sensitization of red and blue for dye-sensitized solar cells: A sequential approach5
Promoting the hydrogenation of citral via supported bimetallic Zn–Pt catalysts on TiO25
Synthesis, characterization, and biological evaluation of a β-amino carbonyl and its metal complexes using guanine hydrochloride catalyst5
An oxidative expansion mechanism of isatin-derived imines5
Encapsulation of curcumin in alginate microbeads (AMB) for control release of curcumin5
Synthesis and characterization of new intrinsic self-healing hydroxyl-terminated polybutadiene (HTPB) functionalized with 2-ureido-4-pyrimidinone5
Photodissociation dynamics of HN3 at 248 nm: a trajectory surface hopping study5
Synthesis, structural characterization, electrochemical investigation, and near-infrared absorption of bis(dithiolene)nickel(II) complexes of type [Ni(L)2] [L = 1,2-di(4-chlorophenyl)ethene-1,2-dithio5
Synthesis of UiO-66-SO3H-Cl as the recyclable multifunctional catalyst for efficient conversion of glucose to 5–Hydroxymethylfurfural5
Electronic structure and reactivity of dehydrobenzo[n]annulene incorporated two-dimensional metal-organic frameworks5
Discovery of a novel lead compound targeting BRD4 BD2 with a di-phenyl ether fragment: Synthesis, molecular docking and drug-likeness studies5
Environmentally benign synthesis of 2,3-dihydroquinazolin-4(1H)-ones by using sodium hexamolybdochromate (III) as a catalyst5
Synthesis of acid-base bi-functionalized multiwalled carbon nanotube using supercritical carbon dioxide5
Monoacetylated bishydroperoxide-derived singlet molecular oxygen-mediated oxidative coupling of primary and secondary alcohols with phenylhydrazine: Synthesis of 1,3,5-trisubstituted pyrazoles5
DABCO-based ionic salts: synthesis, characterization, and application as organocatalysts in asymmetric reduction reactions5
Ultrasound-assisted synthesis and structure elucidation of novel quinoline-pyrazolo[1,5-a]pyrimidine hybrids for anti-malarial potential against drug-sensitive and drug-resistant malaria parasites and5
Concise route to stereoselective chlorobenzene-based spiropyrrolidine oxindoles for pursuit as antitubercular agents4
Extraction of RMS roughness of Pt, Au and graphene electrodes using electrochemical impedance spectroscopy4
Yttrium nitrate promoted selective cyanoethylation of amines4
Spectroscopic investigation of azo-hydrazo tautomerization in naphthalene-based azo dyes using 1D and 2D NMR4
The impact of electron-donating and withdrawing groups on diketopyrrolopyrrole-based dye sensitizers: A quantum chemical analysis4
Water dispersible glycylglycine functionalized gold nanoparticles: application in colorimetric sensing of Hg(II), Pb(II) and Cr(III) in aqueous media4
Surface hydrophobicity induced electrochemical nitrogen reduction reaction: A substrate-dependent case study on Cu foam versus Cu foil4
Cerium-ion-exchanged copper silicate: for catalytic methanol dehydrogenation4
Current understanding of the microscopic effects of intrinsically disordered protein aggregates on the interfacial solvent properties4
Iron-promoted environmentally benign construction of 2-iodo aroylguanidines and 2-iodo aroyltetrazoles4
Possible C-F bond activation by B(C6F5)3/lutidine and Al(C6F5)3/lutidine frustrated Lewis pair: an in silico study4
LED-based broadband cavity-enhanced spectrometer for high-sensitive optical detection of diacetyl in gas phase4
Facile, sustainable and unassisted plain water oxidation on Au/Ce0.9Ti0.1O2 nanorods in direct sunlight4
Electronic structure and stability in small lithium-sulphur clusters: A computational investigation4
BSinGe4−n+ (n = 0−2): prospective systems containing planar tetracoordinate boron (ptB)4
Synthesis of chromene analogues via oxidative cleavage of 1,2-diols4
Hydrazone analogs as DNA gyrase inhibitors and antioxidant agents: Structure-activity relationship and pharmacophore modeling4
Experimental and theoretical studies on new organotin(IV) complexes with oxygen donor ligand: DNA binding, molecular docking and antimicrobial activity4
Emphasized DFT, DNA binding, and electrochemical studies of hybrid 1,3,4-thiadiazole-linked chalcone confined via a sulfur bridge4
Molecular docking of biologically active vanadium(III) hydroxamates: Synthesis, structural aspects, electrochemical and thermal behavior4
Hybrid thermochromic hydrogels based on HPC/PVA for smart windows with enhanced solar modulation4
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