Journal of Chemical Sciences

Article	Citations
Photochemistry of an alpha lipoic acid-based drug and its application in dual sensing of Fe(III) and Pb(II) and logic gates	49
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 region	29
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 evaluation	21
Effect of boron halogenation on dihydrogen bonds: A quantum mechanical approach	21
Targeting growth of breast cancer cell line (MCF-7) with curcumin-pyrimidine analogs	20
Synthesis and characterization of Mn-Co co-doped TNU-9 denitration catalyst with high activity	20
Self-assembled discrete and polymeric cobalt(II) complexes of a carboxylate appended tripodal tetradentate ligand: reactivity with aerial dioxygen or aqueous hydrogen peroxide	20
Intensification of n-octyl acetate synthesis over H5PW10V2O40/FAC catalyst using ultrasound-assisted reactor	19
Zinc ferrite as reusable and green catalyst for synthesis of quinoxaline derivatives	19
Accurate binding energy of first row transition metal cations (Mn2+, Fe2+, Co2+, Ni2+, Cu2+, and Zn2+) and dichalcogen (S and Se) bridges	18
Enhanced oxygen evolution reaction activity of Ni(OH)2 nanosheets via the modified effect of sulfur	17
Switching the regio-, stereo- and enantioselectivity in L-proline catalyzed asymmetric Mannich reaction: A case study of H-acceptor and H-donor solvents	17
Core-shell structured Fe3O4@MgO: magnetically recyclable nanocatalyst for one-pot synthesis of polyhydroquinoline derivatives under solvent-free conditions	17
Stereodynamic origin of mode selectivity in the $$\textbf{NH}_{3}$$ $$\varvec{+}$$ F $$\varvec{\longrightarrow}$$ $$\textbf{NH}_{2}$$ $$\varvec{+}$$ HF reaction	16
First-principles DFT study on the interaction of non-metal oxides with water cluster	16
The synthesis of sutezolid and eperezolid using proline catalyzed α-aminoxylation of an aldehyde	15
An efficient and environmental friendly synthesis of 1H-pyrazolo[1,2-b]phthalazine-5,10-dione in aqueous hydrotropic medium	15
Corrosion inhibition behavior of the synthesized pyrazoline-sulfonamide hybrid of mild steel in aqueous solutions: experimental and quantum investigations	15
Synthetic access to thiols: A review	15
Topological analysis of non-conjugated ethylene oxide cored dendrimers decorated with tetraphenylethylene: Insights from degree-based descriptors using the polynomial approach	14
Assay of biotin in pharmaceuticals utilizing its inhibitory effect on Pd(II) catalyzed ligand substitution reaction	14
Editorial	13
A novel organic fluorescent material: synthesis, structures and optical response properties	12
Detection of ultrafast solvent dynamics employing a streak camera	12

Selective detection of Cu2+ by benzothiazole-based colorimetric chemosensor: a DFT study	12
Synthesis of Au–Pd@CeO2 nanocomposite as a potential catalyst for the Buchwald–Hartwig cross-coupling and amination of benzyl alcohol reactions	11
Understanding pH Tailored Photophysical Properties of a $${\varvec{\pi}}$$-Conjugated Aryl Hydrazone-Derived Dye for Sensing Application	11
Role of molecular modelling in the development of metal-organic framework for gas adsorption applications	11
Formation of dicyano ruthenium(II) complex mediated by triethylamine via deprotonation of hydrazonochroman-2,4-dione	11
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 min	11
Pyrene-tethered self-assembled supramolecular system demonstrating vesicular structures and aggregation-induced emission: synthesis, assembled studies and morphology	11
Geometrical structure and stability of buckminsterfullerene complexes containing mono- and poly-atomic molecules	10
Palladium-catalyzed site-selective arylation of alkyl 2,4- and 2,5-dihalobenzoates with aryl titanium reagents	10
High-resolution spectroscopic probing of allowed and forbidden ortho- and para-nuclear spin-isomers of NH3	10
High-Performance rGO-ZnO/WO3 heterojunction photocatalyst for solar green hydrogen generation	10
Activation of water at disiladicarbene: from the perspective of modification of silicon surface with organo-silicon compounds	10
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 simulation	9
High-performance scavenging of Nd (III) and Sm (III) from water by a copper-based metal-organic framework HKUST-1	9
Scope and limitations of the combination of cobalt catalyst and choline hydroxide as green media for Sonogashira coupling and hydration of nitriles	9
Stability and morphology of cyanonaphthalene icy mantles on ISM cold dust analogues	9
Potassium tert-butoxide promoted a direct one-pot synthesis of nitriles from aldehydes at room temperature	9
Interplay between complexation and dynamical heterogeneity in alkylamide deep eutectic solvents	8
Diruthenium(II)diacetylide organometallic complexes with thienylethynyl bridging units: Synthesis, characterization and electrochemical properties	8
Theory of impedance for initial corrosion of metals under a thin electrolyte layer: a coupled charge transfer-diffusion model	8
Theoretical investigation of copper clusters using the electron propagator theory	8
Exciton transport in photosynthetic complex dimers	8
Modulating magnetic exchange and magnetic anisotropy in {3d–4f} complexes using external electric field	8
Improved bioactivities of curcumin pyrazole and its HP$$\beta$$CD inclusion complex compared to curcumin	8
Metal-mediated reactions of bromoform with electron-rich and electron-deficient carbon-carbon and carbon-hetero atom multiple bonds	8
Structural and electrical properties of M-doped TiO2 (M = Ni, Cu, Zn) relevant to their application as electrolytes for solid oxide fuel cells	8
Superior efficacy of biocomposite membranes of chitosan with montmorillonite and kaolin vs pure chitosan for removal of Cu(II) from wastewater	8
Functionalized multi-walled carbon nanotube thin-layered hollow fiber membrane for enantioselective permeation of racemic β-substituted-α-amino acids	8
Synthesis of Au/Cu2O/graphene quantum dots nanocomposites and its application for glucose oxidation	7
Investigation of the electrochemical properties of benzo[k]fluorenthene using a glassy carbon electrode and development of a square-wave voltammetric method for its quantification	7
Tuning the oxygen electrocatalytic performance of metal-doped graphitic carbon nitride for the development of zinc-air battery	7
Critical and scaling behavior of delayed bifurcations in nonlinear systems with dynamic disorder	7
Design and synthesis of C-α-D-mannopyranoside linked mesoporous silica nanoparticles	7
Low energy electron interaction with citric acid: a local complex potential based time-dependent wavepacket study	7
Higher harmonic anti-resonances in nonlinear coupled systems	7
Role of copper in modified TiO2 for photocatalytic degradation of gaseous isopropanol from air under ultraviolet and visible light radiation	7
L-Proline assisted expeditious and efficient methodology for the preparation of 2-amino-3-cyanopyridines under aqueous conditions	7
Disodium Anacardate: A Bio-based Catalyst for Room Temperature Synthesis of New, Fluorescent 1, 4-Benzoxazinone and Benzophenoxazinone Derivatives	7
Synthesis, cytotoxic evaluation and ct-DNA binding of series of 1,4-disubstituted anthraquinone-sulfonamide conjugates	7
Understanding the effect of metal-oxygen bond covalency on anionic redox activity of Na-ion-based cathode materials through first-principles	7
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 tran	7
Photodissociation pathways in the simplest Criegee intermediate: a semi-classical investigation	7
Dissolvable layered microneedle patch containing 5-fluorouracil for localized treatment of oral carcinoma	7
Synthesis of coumarin-linked naphthoquinone fused pyrrole derivatives by HFIP-mediated multicomponent reaction	6
Ligand grafted mercaptopropyl silane functionalized copper (0) nanocluster: preparation and applications for C–O and C–N bond-forming reactions	6
New cyclam based Zn(II) complexes: effect of flexibility and para substitution on DNA binding, in vitro cytotoxic studies and antimicrobial activities	6
Synthetic strategies to pyrido fused heterocycles	6
Towards self-driving/autonomous material discovery lab	6

Why [BMIM]+[PF6]− is hydrophobic and [BMIM]+[BF4]− hydrophilic in nature? A quantum chemical investigation	6
ab initio study of structure and energy of Be2+⋅(CO)1−3 complexes	6
2-Aminopyridine Cadmium (II) meso-chlorophenylporphyrin coordination compound. Photophysical properties, X-ray molecular structure, antimicrobial activity, and molecular docking analysis	6
Green synthesis of thiocyanate functionalized carbon quantum dots as a fast and sensitive turn-on fluorescent probe for ascorbic acid detection	6
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 medium	6
Catalytic properties of SmMnO3/cordierite monolithic catalysts: acid treatment and calcination process optimization using response surface methodology	6
AgNO3-anchored Prussian blue-derived porous Ag/α-Fe2O3 heterostructure with enhanced electrochemical sensing performance towards methylparaben	6
Prediction of interaction energy for rare gas dimers using machine learning approaches	6
Studies on syntheses and self-assembly behaviour of homoseleno-peptides	6
Synthesis, X-ray structural characterization, and electrochemical investigations on a semiconducting Ni(II) dithiolate with tris(1,10-phenanthroline)nickel(II) as counter-cation	6
Details of ozonolysis of catechol at high temperature and product energy distribution	6
Molecular and electronic structure analysis of [Fe(CO)4(SiX)] (X = O, S, Se and Te): a DFT study	6
Jump-corrected confined Stokes–Einstein relation: An approach for simulating the viscosity of water inside a nanochannel	6
Ultrasound-assisted facile and efficient synthesis of novel Benzoxazole derivatives from o-aminocardanol using Indion 190 resin as a reusable catalyst	6
Supercapacitors for energy storage: Fundamentals and materials design	6
Poly (ethylene glycol)-400 crowned silver nanoparticles: a rapid, efficient, selective, colorimetric nano-sensor for fluoride sensing in an aqueous medium	6
Synthesis of UiO-66-SO3H-Cl as the recyclable multifunctional catalyst for efficient conversion of glucose to 5–Hydroxymethylfurfural	5
Electronic structure and reactivity of dehydrobenzo[n]annulene incorporated two-dimensional metal-organic frameworks	5
Discovery of a novel lead compound targeting BRD4 BD2 with a di-phenyl ether fragment: Synthesis, molecular docking and drug-likeness studies	5
Environmentally benign synthesis of 2,3-dihydroquinazolin-4(1H)-ones by using sodium hexamolybdochromate (III) as a catalyst	5
Synthesis of acid-base bi-functionalized multiwalled carbon nanotube using supercritical carbon dioxide	5
Monoacetylated bishydroperoxide-derived singlet molecular oxygen-mediated oxidative coupling of primary and secondary alcohols with phenylhydrazine: Synthesis of 1,3,5-trisubstituted pyrazoles	5
DABCO-based ionic salts: synthesis, characterization, and application as organocatalysts in asymmetric reduction reactions	5
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 and	5
Interplay of structure and dynamics in reaction pathways, chemical reactivity and biological systems	5
Structure and lowest excitation properties of the backbone-modified GC PNA dimers	5
Incorporation of Ag decorated rGO ON TiO2/dye photoanode for dye-sensitized solar cell applications	5
Cu2O-CuO@Fe3O4-SiO2-imine nanostructure: Magnetically separable and efficient catalyst for quinazolinone synthesis	5
Co-sensitization of red and blue for dye-sensitized solar cells: A sequential approach	5
Promoting the hydrogenation of citral via supported bimetallic Zn–Pt catalysts on TiO2	5
Synthesis, characterization, and biological evaluation of a β-amino carbonyl and its metal complexes using guanine hydrochloride catalyst	5
An oxidative expansion mechanism of isatin-derived imines	5
Encapsulation of curcumin in alginate microbeads (AMB) for control release of curcumin	5
Synthesis and characterization of new intrinsic self-healing hydroxyl-terminated polybutadiene (HTPB) functionalized with 2-ureido-4-pyrimidinone	5
Photodissociation dynamics of HN3 at 248 nm: a trajectory surface hopping study	5
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-dithio	5
BSinGe4−n+ (n = 0−2): prospective systems containing planar tetracoordinate boron (ptB)	4
Synthesis of chromene analogues via oxidative cleavage of 1,2-diols	4
Hydrazone analogs as DNA gyrase inhibitors and antioxidant agents: Structure-activity relationship and pharmacophore modeling	4
Experimental and theoretical studies on new organotin(IV) complexes with oxygen donor ligand: DNA binding, molecular docking and antimicrobial activity	4
Emphasized DFT, DNA binding, and electrochemical studies of hybrid 1,3,4-thiadiazole-linked chalcone confined via a sulfur bridge	4
Molecular docking of biologically active vanadium(III) hydroxamates: Synthesis, structural aspects, electrochemical and thermal behavior	4
Hybrid thermochromic hydrogels based on HPC/PVA for smart windows with enhanced solar modulation	4
Concise route to stereoselective chlorobenzene-based spiropyrrolidine oxindoles for pursuit as antitubercular agents	4
Extraction of RMS roughness of Pt, Au and graphene electrodes using electrochemical impedance spectroscopy	4
Yttrium nitrate promoted selective cyanoethylation of amines	4
Spectroscopic investigation of azo-hydrazo tautomerization in naphthalene-based azo dyes using 1D and 2D NMR	4
The impact of electron-donating and withdrawing groups on diketopyrrolopyrrole-based dye sensitizers: A quantum chemical analysis	4
Water dispersible glycylglycine functionalized gold nanoparticles: application in colorimetric sensing of Hg(II), Pb(II) and Cr(III) in aqueous media	4
Surface hydrophobicity induced electrochemical nitrogen reduction reaction: A substrate-dependent case study on Cu foam versus Cu foil	4
Cerium-ion-exchanged copper silicate: for catalytic methanol dehydrogenation	4
Current understanding of the microscopic effects of intrinsically disordered protein aggregates on the interfacial solvent properties	4
Iron-promoted environmentally benign construction of 2-iodo aroylguanidines and 2-iodo aroyltetrazoles	4
Possible C-F bond activation by B(C6F5)3/lutidine and Al(C6F5)3/lutidine frustrated Lewis pair: an in silico study	4
LED-based broadband cavity-enhanced spectrometer for high-sensitive optical detection of diacetyl in gas phase	4
Facile, sustainable and unassisted plain water oxidation on Au/Ce0.9Ti0.1O2 nanorods in direct sunlight	4
Electronic structure and stability in small lithium-sulphur clusters: A computational investigation	4
Structure and supramolecular organization of N-acylserinols: agonists of the G-protein coupled receptor, GPR-119	3
Green heterogeneous nickel–chromium oxide catalyst for solvent-free, room-temperature Knoevenagel condensation reaction	3
A convenient TBHP/Cu(NO3)2·2.5H2O-mediated oxidation of secondary and benzyl alcohols under microwave irradiation	3
Computational study of p$$\varvec{K}_\text{a}$$ shift of aspartate residue in thioredoxin: role of conformational sampling	3
Transmission of substituent effect through π-conjugation by cyclobutane ring	3
A multi-branched triphenylamine Schiff base derivative for picric acid turn-on detection	3
Quantum chemical study of molecular hydration of phenylxylopyranose sugar	3
Computational insights into tuning TADF properties via multiple donor–acceptor linkages	3
Selection of solid-state electrolytes for lithium-ion batteries using clustering technique	3
Preparation of nitrogen-doped porous carbon modified by iron carbide and its application in an oxygen reduction reaction	3
A novel water-soluble quinoxalino[2,3-a] phenazine-based organic NIR photothermal agent for cancer phototherapy application	3
5‐(4‐chlorophenyl)‐1‐(4‐sulphamoylphenyl)‐1H‐1,2,3‐triazole‐4‐carbothioamide: UV–Vis chemosensor for Cu2+ ions and potent non-toxic biological agent	3
Computational study of NO + CO reaction on Pd(111) surface: effect of lattice sites on the adsorption and reactivity	3
Polyoxometalate-driven assembly of inorganic–organic hybrid materials: Proton conductivity studies	3
Global, local and non-local reactivity descriptors in conceptual density functional theory	3
Theoretical exploration of bare and oxygen-functionalized Ti3C2 clusters for catalytic NH3 production	3
Synthesis and DNA binding studies of pyrene-functionalized cationic block copolymer based on D-galactopyranose and 2-(dimethylamino)ethyl methacrylate	3
Sustained generation of peroxide from the air by carbon nano onion under visible light to combat RNA virus	3
Host-guest interactions of 8-aniline-1-naphthalene sulfonic acid with two macrocycles containing 2,6-pyridylamide and dipyrrole units	3
Synthesis and structural characterization of unsymmetrical Schiff base 2-(1-(2-aminophenylimino)ethyl)phenol (LH3) and its Pd(II) complex [Pd3(LH)3]: catalysis of Suzuki–Miyaura cross-coupling reactio	3
Benzoxanthones derivatives: insight into oxalic acid catalyzed synthesis, crystallographic analysis and potential application in dye-sensitized solar cell	3
A review on recent application of proton transfer photophysics of bipyridine-3,3′-diol in organized assemblies	3

Understanding the correlation of microscopic structure and macroscopic properties of multi-component glass through atomistic simulations	3
Efficient one-pot process for synthesis of antiviral drug Ganciclovir	3
A DFT and TD-DFT study of charge transport and non-linear optical properties of N-(4- methoxybenzylidene)isonicotinohydrazone, 2,2’-bipyridine and their Fe2+, Ni2+, Cu2+, Pd2+ and Pt2+ complexes	3
Reduction of hydrobenzamides: a strategy for synthesizing benzylamines	3
On the nature of the triple hydrogen bond in the cytosine-guanine base pair and its role in the tautomerism	3
A highly efficient and green method for catalyzing the Hantzsch reaction under solvent-free conditions using a seashell/Kaolin calcined system	3
Structural tailoring and computational studies of benzothiophene-based charge transfer complexes	3
Thermally stable complexes of Fe(III), Co(II), Ni(II) and Cu(II) with Schiff base derived from 4-aminoacetophenone and salicylaldehyde	3
Cu/H–ZSM-5: A highly active and selective catalyst for the production of γ-valerolactone from biomass-derived levulinic acid	3
A new ionic Schiff base macrocycle as highly selective and sensitive colorimetric chemo-sensor for S2- detection	3
Synthesis of rhodium catalyst [Rh(cod)(TTT)2] with amino group ligand and its catalytic performance for phenylacetylene polymerization	3
Thiazolamide derivatives containing diphenyl ethers moiety: design, synthesis, fungicidal activity and docking study	3
Unravelling the structure and reactivity of N,O-heterocycles: a multifaceted quantum chemical approach using a benzoxazole derivative as a case study	3
C–N bond cleavage of benzylamines with singlet molecular oxygen generated from trans-5-hydroperoxy-3,5dimethyl-1,2-dioxolan-3-yl ethaneperoxate: synthesis of 2,4,6-triaryl pyridines	3
Structural and biological properties of isoproterenol, comparison with epinephrine and norepinephrine	3
Molecular dynamics revelations of structures and dynamics of H3O+, Cu+ and Cu2+ ions within a model polymeric Nafion membrane	3
Organoselenium-based quinoline sensor for superoxide detection and its antitumor activities	3
A new recipe for the isolation of a cationic Mn-pentane σ-complex	3
Retraction Note to: Schiff base transition metal complexes for Suzuki–Miyaura cross-coupling reaction	3
Effect of substitution on the binding affinity of 5-bezylidenebarbituric acid derivatives to ctDNA: in silico and in vitro studies	3
QSPR models for n-octanol/water partition coefficient and enthalpy of vaporization using CDFT and information theory-based descriptors	3
Non-enzymatic glucose oxidation to gluconic acid with N, N′-bis(2-hydroxybenzylidineamino) benzene gold (III) complex	2
A combined surface plasmonic and isotope-selective spectroscopic study toward a deeper understanding of real-time enzymatic urea hydrolysis	2
Oxidation of cyclohexanone and/or cyclohexanol catalyzed by Dawson-type polyoxometalates using hydrogen peroxide	2
Tailoring approach for exploring vibrational features of large molecular systems: A short review	2
Palladium(II) complex bearing benzothiazole based O,N,S donor pincer ligand: Study of in-vitro cytotoxicity, interaction with CT-DNA and BSA protein	2
Iodine and acid catalyzed efficient synthesis of anthracenyl porphyrin with different spectroscopic studies	2
Synthesis of 4-propyl phenol from bio-based eugenol via hydrogenation and demethoxylation using novel Ni–Co/Al-SBA-15 catalysts	2
Copper-based non-precious metal catalysts derived from the in-situ and ex-situ loading of copper-bipyridine metal-organic framework on activated carbon for oxygen reduction reaction	2
MnO2 and CuBi2O4 hybrid microstructures for efficient nonenzymatic hydroxylamine detection	2
2-Mercaptobenzimidazole ligand-based models of the [FeFe] hydrogenase: synthesis, characterization and electrochemical studies	2
Thin films of azobenzene dicarboxylate-based Cu-MOF: Generating electronic heterostructure by molecular doping	2
Rate coefficients and Arrhenius parameters for the isomerization of 15 selected C7H7+ cations: A computational study	2
Metal-free C(sp3)-H Bromination: Synthesis of Phenacyl bromide and Benzyl bromide derivatives	2
Poly(4-vinylbenzyl-g-β-butyrolactone) graft copolymer synthesis and characterization using ring-opening polymerization, free-radical polymerization, and “click” chemistry techniques	2
Unveiling novel reactivity of P/Al frustrated Lewis pair: ring size-dependent activation of cyclic ethers/thioethers and CO2 insertion therein	2
Unveiling the design rules for tunable emission in graphene quantum dots: A high-throughput TDDFT and machine learning perspective	2
Synthesis, characterization, Density Functional Theory (DFT) calculation, and fluorescent study of an efficient and novel Schiff base Cu(II) sensor	2
Utilization of Fe3O4@MgO as a heterogeneous solid-base in functional group transformations of arylboronic acids, phenols and benzonitriles	2
First-principles insights into biphenylene-based graphynes: promising novel two-dimensional carbon allotropes for thermoelectric applications	2
Applying polypharmacology approach for drug repurposing for SARS-CoV2	2
Soft ionic atmosphere model for molar conductivity, diffusion coefficient and viscosity in concentrated electrolytes	2
Thiamine hydrochloride catalyzed environmentally benign synthesis of benzodiazepines in water	2
Symmetry breaking of BNB (−,0,+): Analysis from non-adiabatic interaction	2
DBU catalyzed (3 + 3) annulation of β′ and δ-acetoxy allenoates with benzo-oxathiin-dioxide and phenylthiazolone: Synthesis of pyrano-oxathiines and pyrano-thiazoles	2
Preparation of dopamine-loaded microbeads for antioxidant activity and controlled drug release	2
Innovative synthesis of ketopeptide from lysine and methyl-3-hydroxybutyrate	2
Generative schemes for drug design with shape captioning	2
Highly recyclable palladium ion substituted TiO2 as the versatile ligand-free catalyst for the selective oxidation of alcohols and the reduction of nitroarenes	2
Atropinium dithiophosphates and dithiophosphonates on the basis of α-D-glucofuranose and α-D-galactopyranose diacetonide scaffolds	2
Comparative DNA binding ability and phosphatase-like activity of mono and dinuclear Ni (II) complexes: a structure-activity correlation	2
Ultrasound-assisted efficient synthesis and antimicrobial evaluation of pyrazolopyranopyrimidine derivatives using starch functionalized magnetite nanoparticles as a green biocatalyst in water	2
Design, synthesis, and antifungal activity of nicotinamide derivatives containing diphenylamine moieties	1
Mapping of DNA base-pair sequence from breathing dynamics of hetero-polymeric DNA: A genetic algorithm-based study	1
Comparative study of various preparation methods of metal-free N and S Co-doped porous graphene as an ORR catalyst in alkaline solution	1
In situ generated superacid BF3–H2O catalyzed alkylation of p-quinols with diaryl carbinols leading to triarylmethanes	1
Investigation of mechanical and self-healing properties of hydroxyl-terminated polybutadiene functionalized with 2-ureido-4-pyrimidinone	1
Biological evaluation and photocatalytic activities of diaquabis pyrazine tetrazole metal complexes synthesised by microwave activation	1
Amorphous microporous polymer with high-density sulphonic acid for proton conduction	1
Correction: A mild and highly chemoselective iodination of alcohol using polymer supported DMAP	1
Can the FCI energies/properties be predicted with HF/DFT densities?	1
Palladium–silver nanoalloys: Digestive ripening-facilitated interatomic diffusion and hydrogen sorption behaviour upon alloying	1
1,1,1,3,3,3-hexafluoro-2-propanol as a reusable media: Green and catalyst-free synthesis of pyrano[2,3-d]pyrimidine scaffolds	1
A facile, metal-free synthesis of aryl bromides using molecular bromine-an alternative to the Sandmeyer reaction	1
Reliance of electronic structure on B(III) site-orbital in halide double perovskite: A case study of Cs2NaBiCl6 vs. Cs2NaEuCl6	1
Pyruvic acid-catalyzed one-pot three-component green synthesis of isoxazoles in aqueous medium: a comparable study of conventional heating versus ultra-sonication	1
Highly sensitive and selective detection of free bilirubin using blue emitting graphene quantum dots (GQDs)	1
Mono- versus bifunctionalized Schiff base as a condensation product of m-phenylenediamine and salicylaldehyde: experimental and computational studies	1
Photoisomerization of acetone via Rydberg excitation	1
Lignin-derived Brønsted acidic catalyst for the green synthesis of biologically relevant indole derivatives	1
Influence of impurity binding energy on the excitation dynamics of doped GaAs quantum dot: Role of noise	1
KOH-catalyzed cross-coupling of primary and secondary alcohols: evidence for radical pathways	1
Analysis of the gas phase acidity of substituted hydroxybenzoic acids using Fukui function	1
Lewis acid-catalyzed diazo insertion into electron-deficient C–H bonds	1
The possibility of forming $$\text {H}_{2}$$($$\text {T}_{2}$$) in its lowest energy triplet electronic state	1
Why do some reactions possess similar reaction rate in wildly different viscous media? A possible explanation via frequency-dependent friction	1
Star-shaped Te(VI)-Te(VI) complex and an octanuclear heterometallic Te2Sb6 oxo cluster	1
Selective triphenylphosphine oxide imprinted polymer for solid scavenger application in organic synthesis	1
Novel CAL-B catalyzed synthetic protocols for pyridodipyrimidines and mercapto oxadiazoles	1
Highly selective in-situ prepared g-C3N4/P-B composite photocatalyst for direct C-H bond arylation and NADH regeneration cofactor under solar light	1
A computational study of proton hopping induced energy stabilization of acetic acid networks	1
Impact of iodide ions in the transformation of Cu nanostructures from one-dimensional nanowires to two-dimensional microplates	1
An inexpensive protein source for the encapsulation of small molecules	1
The electrochemical preparation and characterization of sulfur-free expanded graphite	1
Synthesis of glycerol acetins as fuel additives: Acetylation of glycerol with SnTPA catalyst	1
A highly conjugated tetrakis-lawsone organic cathode material for enhancing the capacity utilization in the zinc-ion batteries	1
Effect of substitution on some photophysical properties of pyridine: A comparison with benzene analogues	1
Synthesis, characterization and application of magnetic mesoporous Fe3O4@Fe-Cu/MCM‐41 as efficient and recyclable nanocatalyst for the Buchwald-Hartwig C-N cross-coupling reaction	1
Ligand engineering for designing atomically precise metal nanoclusters and cluster-assemblies for potential applications	1
Control of anomericity and glycosidic linkage on the mechanics of polysaccharides	1
Effective adsorption of chlorpyrifos pesticides by HKUST-1 metal-organic framework	1
Ceria-coated cordierite monolith: A recyclable catalyst for palladium and ligand-free Suzuki–Miyaura coupling in water	1
A kinetic and mechanistic investigation of oxidation of D-Mannitol by Diperiodatocuprate (III) in an aqueous alkaline medium	1
Conformational changes and domain motion of active site loops of apo and holo forms of serine hydroxymethyltransferase enzyme in aqueous medium	1
Co-sputtered low platinum loaded PtTi binary electrocatalysts for Proton Exchange Membrane (PEM) fuel cells	1