Journal of Chemical Sciences

Article	Citations
EDA-NOCV analyses of M−E2 bond: E2 binding and activation [E2 = N2, H2]	54
High-resolution rovibrational cavity ring-down spectroscopy of (1200←0200) vibrational band of β-site-specific N2O isotopologue near 7.8 µm region	41
Targeting growth of breast cancer cell line (MCF-7) with curcumin-pyrimidine analogs	33
Intensification of n-octyl acetate synthesis over H5PW10V2O40/FAC catalyst using ultrasound-assisted reactor	23
Core-shell structured Fe3O4@MgO: magnetically recyclable nanocatalyst for one-pot synthesis of polyhydroquinoline derivatives under solvent-free conditions	22
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
Enhanced oxygen evolution reaction activity of Ni(OH)2 nanosheets via the modified effect of sulfur	20
Accurate binding energy of first row transition metal cations (Mn2+, Fe2+, Co2+, Ni2+, Cu2+, and Zn2+) and dichalcogen (S and Se) bridges	19
Effect of boron halogenation on dihydrogen bonds: A quantum mechanical approach	19
Theoretical insights into oxyisocyclointegrin: DFT, binding affinity, and pharmacokinetic evaluation for protein kinase inhibition	18
Flow-based Ru(II)-catalyzed C–C bond formation between primary and secondary alcohols	17
Zinc ferrite as reusable and green catalyst for synthesis of quinoxaline derivatives	17
Synthesis and characterization of Mn-Co co-doped TNU-9 denitration catalyst with high activity	16
Governing role of nanoscale curvature on the electronic properties and reactivity of carbon nanotubes	15
Stereodynamic origin of mode selectivity in the $$\textbf{NH}_{3}$$ $$\varvec{+}$$ F $$\varvec{\longrightarrow}$$ $$\textbf{NH}_{2}$$ $$\varvec{+}$$ HF reaction	15
First-principles DFT study on the interaction of non-metal oxides with water cluster	15
Detection of ultrafast solvent dynamics employing a streak camera	14
Topological analysis of non-conjugated ethylene oxide cored dendrimers decorated with tetraphenylethylene: Insights from degree-based descriptors using the polynomial approach	13
Editorial	12
Switching the regio-, stereo- and enantioselectivity in L-proline catalyzed asymmetric Mannich reaction: A case study of H-acceptor and H-donor solvents	12
Assay of biotin in pharmaceuticals utilizing its inhibitory effect on Pd(II) catalyzed ligand substitution reaction	12
Role of molecular modelling in the development of metal-organic framework for gas adsorption applications	12
A novel organic fluorescent material: synthesis, structures and optical response properties	11
Two-step seed-mediated growth for the reproducible synthesis of high quality gold nanorods	11
Novel coumarin-oxadiazole azo dyes for enhanced latent fingerprint detection	11

Crystalline, amorphous and phase change molecular materials: Explorations using the tunable fluorescence of DADQ solids	11
Multimodal pharmacological potential of newly synthesized organotin(IV) derivatives of 2,4-dichlorophenyl acetic acid	11
An efficient and environmental friendly synthesis of 1H-pyrazolo[1,2-b]phthalazine-5,10-dione in aqueous hydrotropic medium	10
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	10
Synthetic access to thiols: A review	10
Synthesis of Au–Pd@CeO2 nanocomposite as a potential catalyst for the Buchwald–Hartwig cross-coupling and amination of benzyl alcohol reactions	10
Corrosion inhibition behavior of the synthesized pyrazoline-sulfonamide hybrid of mild steel in aqueous solutions: experimental and quantum investigations	10
Pyrene-tethered self-assembled supramolecular system demonstrating vesicular structures and aggregation-induced emission: synthesis, assembled studies and morphology	10
High-resolution spectroscopic probing of allowed and forbidden ortho- and para-nuclear spin-isomers of NH3	9
Formation of dicyano ruthenium(II) complex mediated by triethylamine via deprotonation of hydrazonochroman-2,4-dione	9
Geometrical structure and stability of buckminsterfullerene complexes containing mono- and poly-atomic molecules	9
Activation of water at disiladicarbene: from the perspective of modification of silicon surface with organo-silicon compounds	9
The anomeric effect (Edward–Lemieux): A conceptual density functional theory viewpoint	9
Understanding pH Tailored Photophysical Properties of a $${\varvec{\pi}}$$-Conjugated Aryl Hydrazone-Derived Dye for Sensing Application	9
Understanding the effect of Al doping on steam oxidation of U3Si2 {001} surface: A systematic density functional theory study	8
Scope and limitations of the combination of cobalt catalyst and choline hydroxide as green media for Sonogashira coupling and hydration of nitriles	8
Potassium tert-butoxide promoted a direct one-pot synthesis of nitriles from aldehydes at room temperature	8
PPIscout: Protein–protein interaction site hotspot mapping using mixed amino acid–water molecular dynamics simulation	8
A single electrolyzer-making amides and α-ketoamides together: A “sweet fusion” of electrocatalysis and chemocatalysis!	8
Stability and morphology of cyanonaphthalene icy mantles on ISM cold dust analogues	8
Palladium-catalyzed site-selective arylation of alkyl 2,4- and 2,5-dihalobenzoates with aryl titanium reagents	8
Theoretical investigation of copper clusters using the electron propagator theory	8
How good is the time-dependent DFT method for simulating anionic shape resonances of DNA nucleobases?	8
High-performance scavenging of Nd (III) and Sm (III) from water by a copper-based metal-organic framework HKUST-1	8
High-Performance rGO-ZnO/WO3 heterojunction photocatalyst for solar green hydrogen generation	8
Diruthenium(II)diacetylide organometallic complexes with thienylethynyl bridging units: Synthesis, characterization and electrochemical properties	8
Understanding the effect of metal-oxygen bond covalency on anionic redox activity of Na-ion-based cathode materials through first-principles	7
CexZn1–xO2 catalysts for conversion of propanoic acid to 3-pentanone via ketonization	7
Interplay between complexation and dynamical heterogeneity in alkylamide deep eutectic solvents	7
Functionalized multi-walled carbon nanotube thin-layered hollow fiber membrane for enantioselective permeation of racemic β-substituted-α-amino acids	7
Low energy electron interaction with citric acid: a local complex potential based time-dependent wavepacket study	7
Role of copper in modified TiO2 for photocatalytic degradation of gaseous isopropanol from air under ultraviolet and visible light radiation	7
Synthesis, cytotoxic evaluation and ct-DNA binding of series of 1,4-disubstituted anthraquinone-sulfonamide conjugates	7
Rotamer-induced dynamics in post-synthetically functionalized [2]rotaxanes: Effect of substituents appended to tertiary amide groups	7
Exciton transport in photosynthetic complex dimers	7
Improved bioactivities of curcumin pyrazole and its HP$$\beta$$CD inclusion complex compared to curcumin	7
Higher harmonic anti-resonances in nonlinear coupled systems	7
Critical and scaling behavior of delayed bifurcations in nonlinear systems with dynamic disorder	7
Tuning the oxygen electrocatalytic performance of metal-doped graphitic carbon nitride for the development of zinc-air battery	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
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
Modulating magnetic exchange and magnetic anisotropy in {3d–4f} complexes using external electric field	7
Metal-mediated reactions of bromoform with electron-rich and electron-deficient carbon-carbon and carbon-hetero atom multiple bonds	7
Synthesis of Au/Cu2O/graphene quantum dots nanocomposites and its application for glucose oxidation	7
Dissolvable layered microneedle patch containing 5-fluorouracil for localized treatment of oral carcinoma	7
Why [BMIM]+[PF6]− is hydrophobic and [BMIM]+[BF4]− hydrophilic in nature? A quantum chemical investigation	6
Disodium Anacardate: A Bio-based Catalyst for Room Temperature Synthesis of New, Fluorescent 1, 4-Benzoxazinone and Benzophenoxazinone Derivatives	6
Photodissociation pathways in the simplest Criegee intermediate: a semi-classical investigation	6
Supercapacitors for energy storage: Fundamentals and materials design	6
Details of ozonolysis of catechol at high temperature and product energy distribution	6

Design and synthesis of C-α-D-mannopyranoside linked mesoporous silica nanoparticles	6
Synthesis of coumarin-linked naphthoquinone fused pyrrole derivatives by HFIP-mediated multicomponent reaction	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
New cyclam based Zn(II) complexes: effect of flexibility and para substitution on DNA binding, in vitro cytotoxic studies and antimicrobial activities	6
L-Proline assisted expeditious and efficient methodology for the preparation of 2-amino-3-cyanopyridines under aqueous conditions	6
ab initio study of structure and energy of Be2+⋅(CO)1−3 complexes	6
Studies on syntheses and self-assembly behaviour of homoseleno-peptides	6
Prediction of interaction energy for rare gas dimers using machine learning approaches	6
Green synthesis of thiocyanate functionalized carbon quantum dots as a fast and sensitive turn-on fluorescent probe for ascorbic acid detection	6
Cu2O-CuO@Fe3O4-SiO2-imine nanostructure: Magnetically separable and efficient catalyst for quinazolinone synthesis	5
Electronic structure and reactivity of dehydrobenzo[n]annulene incorporated two-dimensional metal-organic frameworks	5
Choline chloride-oxalic acid based deep eutectic solvent: A versatile catalyst for one-pot multicomponent synthesis of highly functionalised tetrahydropyridine	5
Jump-corrected confined Stokes–Einstein relation: An approach for simulating the viscosity of water inside a nanochannel	5
Synthetic strategies to pyrido fused heterocycles	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
Imidazole as an organocatalyst for the rapid synthesis of 1H-pyrazolo[1,2-b]phthalazine-5,10-diones in aqueous medium	5
DABCO-based ionic salts: synthesis, characterization, and application as organocatalysts in asymmetric reduction reactions	5
Synthesis, Spectroscopic Characterization, Biocidal evaluation Molecular Docking & DFT Investigation of 16-18 membered Macrocyclic Complexes of Cobalt (II)	5
CurvePotGCN – A graph neural network to predict protein–protein interactions using surface curvature and electrostatic potential as node-features	5
Molecular and electronic structure analysis of [Fe(CO)4(SiX)] (X = O, S, Se and Te): a DFT study	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
Synthesis, characterization, and biological evaluation of a β-amino carbonyl and its metal complexes using guanine hydrochloride catalyst	5
Promoting the hydrogenation of citral via supported bimetallic Zn–Pt catalysts on TiO2	5
Synthesis of UiO-66-SO3H-Cl as the recyclable multifunctional catalyst for efficient conversion of glucose to 5–Hydroxymethylfurfural	5
Co-sensitization of red and blue for dye-sensitized solar cells: A sequential approach	5
AgNO3-anchored Prussian blue-derived porous Ag/α-Fe2O3 heterostructure with enhanced electrochemical sensing performance towards methylparaben	5
Ultrasound-assisted facile and efficient synthesis of novel Benzoxazole derivatives from o-aminocardanol using Indion 190 resin as a reusable catalyst	5
Photodissociation dynamics of HN3 at 248 nm: a trajectory surface hopping study	5
Towards self-driving/autonomous material discovery lab	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
Cholesterol modulation of the ripple phase in DPPC bilayer	5
Phosphine radical cation catalysis for Markovnikov hydroamination of unactivated alkenes	4
Synthesis of acid-base bi-functionalized multiwalled carbon nanotube using supercritical carbon dioxide	4
Structure and lowest excitation properties of the backbone-modified GC PNA dimers	4
Current understanding of the microscopic effects of intrinsically disordered protein aggregates on the interfacial solvent properties	4
Synthesis of chromene analogues via oxidative cleavage of 1,2-diols	4
BSinGe4−n+ (n = 0−2): prospective systems containing planar tetracoordinate boron (ptB)	4
Extraction of RMS roughness of Pt, Au and graphene electrodes using electrochemical impedance spectroscopy	4
Cerium-ion-exchanged copper silicate: for catalytic methanol dehydrogenation	4
Interplay of structure and dynamics in reaction pathways, chemical reactivity and biological systems	4
Synthesis and characterization of new intrinsic self-healing hydroxyl-terminated polybutadiene (HTPB) functionalized with 2-ureido-4-pyrimidinone	4
Environmentally benign synthesis of 2,3-dihydroquinazolin-4(1H)-ones by using sodium hexamolybdochromate (III) as a catalyst	4
Yttrium nitrate promoted selective cyanoethylation of amines	4
Hydrazone analogs as DNA gyrase inhibitors and antioxidant agents: Structure-activity relationship and pharmacophore modeling	4
Encapsulation of curcumin in alginate microbeads (AMB) for control release of curcumin	4
Facile synthesis of adamantyl and bornyl malonates via catalyst-free transesterification	4
Discovery of a novel lead compound targeting BRD4 BD2 with a di-phenyl ether fragment: Synthesis, molecular docking and drug-likeness studies	4
Iron-promoted environmentally benign construction of 2-iodo aroylguanidines and 2-iodo aroyltetrazoles	4
Incorporation of Ag decorated rGO ON TiO2/dye photoanode for dye-sensitized solar cell applications	4
Protonation states of class-C $$\varvec{\beta}$$-lactamases determined by a combination of thermodynamic integration and unified free energy dynamics	4
An oxidative expansion mechanism of isatin-derived imines	4
A multi-branched triphenylamine Schiff base derivative for picric acid turn-on detection	3
Host-guest interactions of 8-aniline-1-naphthalene sulfonic acid with two macrocycles containing 2,6-pyridylamide and dipyrrole units	3
Synthesis, characterization and application of Fe3O4@SiO2-Schiff base-Cu(II) as a core-shell recyclable nano catalyst for the reduction of nitroaromatics	3
Enhancement of luminescence behavior of ZnAl2O4: Insight from DFT study	3
A convenient TBHP/Cu(NO3)2·2.5H2O-mediated oxidation of secondary and benzyl alcohols under microwave irradiation	3
Quantum chemical study of molecular hydration of phenylxylopyranose sugar	3
Emphasized DFT, DNA binding, and electrochemical studies of hybrid 1,3,4-thiadiazole-linked chalcone confined via a sulfur bridge	3
Electronic structure and stability in small lithium-sulphur clusters: A computational investigation	3
Spectroscopic investigation of azo-hydrazo tautomerization in naphthalene-based azo dyes using 1D and 2D NMR	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
Thermo-catalytic treatment of waste biopolymers: Potentially ineffectual approach towards resource recovery	3
Cu/H–ZSM-5: A highly active and selective catalyst for the production of γ-valerolactone from biomass-derived levulinic acid	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
Synthesis of rhodium catalyst [Rh(cod)(TTT)2] with amino group ligand and its catalytic performance for phenylacetylene polymerization	3
Unravelling the structure and reactivity of N,O-heterocycles: a multifaceted quantum chemical approach using a benzoxazole derivative as a case study	3
The impact of electron-donating and withdrawing groups on diketopyrrolopyrrole-based dye sensitizers: A quantum chemical analysis	3
Water dispersible glycylglycine functionalized gold nanoparticles: application in colorimetric sensing of Hg(II), Pb(II) and Cr(III) in aqueous media	3
Experimental and theoretical studies on new organotin(IV) complexes with oxygen donor ligand: DNA binding, molecular docking and antimicrobial activity	3
Surface hydrophobicity induced electrochemical nitrogen reduction reaction: A substrate-dependent case study on Cu foam versus Cu foil	3
PyCRDFT: A Python package to evaluate chemical reactivity descriptors within conceptual DFT	3
Effects of pH, crude oil content and surfactant dosage on interfacial tension of crude oil nanoemulsions against diesel: A combined experimental and machine learning investigation	3
Synthesis of novel acryloyloxy tamarind kernel-TiO2 nanocomposite film for photocatalytic removal of dye and UV absorption	3
Structure and supramolecular organization of N-acylserinols: agonists of the G-protein coupled receptor, GPR-119	3
Transmission of substituent effect through π-conjugation by cyclobutane ring	3
Benzoxanthones derivatives: insight into oxalic acid catalyzed synthesis, crystallographic analysis and potential application in dye-sensitized solar cell	3
LED-based broadband cavity-enhanced spectrometer for high-sensitive optical detection of diacetyl in gas phase	3
Molecular docking of biologically active vanadium(III) hydroxamates: Synthesis, structural aspects, electrochemical and thermal behavior	3
Structure, self-assembly and thermotropic phase behavior of N-acyl and O-alkyl conjugates of phenylalanine and tyrosine: interaction with DNA	3
Concise route to stereoselective chlorobenzene-based spiropyrrolidine oxindoles for pursuit as antitubercular agents	3

Iodine and acid catalyzed efficient synthesis of anthracenyl porphyrin with different spectroscopic studies	2
Atropinium dithiophosphates and dithiophosphonates on the basis of α-D-glucofuranose and α-D-galactopyranose diacetonide scaffolds	2
Understanding the correlation of microscopic structure and macroscopic properties of multi-component glass through atomistic simulations	2
Structural tailoring and computational studies of benzothiophene-based charge transfer complexes	2
Utilization of Fe3O4@MgO as a heterogeneous solid-base in functional group transformations of arylboronic acids, phenols and benzonitriles	2
Interactions of actinides with biomolecules in body fluids	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
Thermally stable complexes of Fe(III), Co(II), Ni(II) and Cu(II) with Schiff base derived from 4-aminoacetophenone and salicylaldehyde	2
Computational insights into tuning TADF properties via multiple donor–acceptor linkages	2
Structural and biological properties of isoproterenol, comparison with epinephrine and norepinephrine	2
A new recipe for the isolation of a cationic Mn-pentane σ-complex	2
Theoretical exploration of bare and oxygen-functionalized Ti3C2 clusters for catalytic NH3 production	2
Computational study of NO + CO reaction on Pd(111) surface: effect of lattice sites on the adsorption and reactivity	2
A novel water-soluble quinoxalino[2,3-a] phenazine-based organic NIR photothermal agent for cancer phototherapy application	2
Generative schemes for drug design with shape captioning	2
Selection of solid-state electrolytes for lithium-ion batteries using clustering technique	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
QSPR models for n-octanol/water partition coefficient and enthalpy of vaporization using CDFT and information theory-based descriptors	2
First-principles insights into biphenylene-based graphynes: promising novel two-dimensional carbon allotropes for thermoelectric applications	2
A helium nanodroplets isolation spectrometer for high-resolution infrared spectroscopy of cold molecules and molecular aggregates	2
A new ionic Schiff base macrocycle as highly selective and sensitive colorimetric chemo-sensor for S2- detection	2
Organoselenium-based quinoline sensor for superoxide detection and its antitumor activities	2
A review on recent application of proton transfer photophysics of bipyridine-3,3′-diol in organized assemblies	2
Efficient one-pot process for synthesis of antiviral drug Ganciclovir	2
On the nature of the triple hydrogen bond in the cytosine-guanine base pair and its role in the tautomerism	2
Global, local and non-local reactivity descriptors in conceptual density functional theory	2
Reduction of hydrobenzamides: a strategy for synthesizing benzylamines	2
Synthesis of 4-propyl phenol from bio-based eugenol via hydrogenation and demethoxylation using novel Ni–Co/Al-SBA-15 catalysts	2
A novel synthesis of C3-carbonylated imidazopyridines by the ring opening and closing cascade (ROCC) mechanism	2
Accurate determination of trace levels of sulphur in silicate minerals by ion-chromatography	2
Synthesis, characterization, Density Functional Theory (DFT) calculation, and fluorescent study of an efficient and novel Schiff base Cu(II) sensor	2
Green heterogeneous nickel–chromium oxide catalyst for solvent-free, room-temperature Knoevenagel condensation reaction	2
Computational study of p$$\varvec{K}_\text{a}$$ shift of aspartate residue in thioredoxin: role of conformational sampling	2
A highly efficient and green method for catalyzing the Hantzsch reaction under solvent-free conditions using a seashell/Kaolin calcined system	2
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	2
Molecular dynamics revelations of structures and dynamics of H3O+, Cu+ and Cu2+ ions within a model polymeric Nafion membrane	2
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	2
Retraction Note to: Schiff base transition metal complexes for Suzuki–Miyaura cross-coupling reaction	2
Polyoxometalate-driven assembly of inorganic–organic hybrid materials: Proton conductivity studies	2
Synthesis and DNA binding studies of pyrene-functionalized cationic block copolymer based on D-galactopyranose and 2-(dimethylamino)ethyl methacrylate	2
Thiazolamide derivatives containing diphenyl ethers moiety: design, synthesis, fungicidal activity and docking study	2
Theoretical insights into chalcogen bonding assisted anion recognition	1
Soft ionic atmosphere model for molar conductivity, diffusion coefficient and viscosity in concentrated electrolytes	1
Crystal engineering of 3-aminopyridinium incorporated Strandberg-type cluster-based solids: Synthesis, structure and optical properties	1
Lignin-derived Brønsted acidic catalyst for the green synthesis of biologically relevant indole derivatives	1
Design, synthesis, and antifungal activity of nicotinamide derivatives containing diphenylamine moieties	1
Impact of iodide ions in the transformation of Cu nanostructures from one-dimensional nanowires to two-dimensional microplates	1
The electrochemical preparation and characterization of sulfur-free expanded graphite	1
Non-enzymatic glucose oxidation to gluconic acid with N, N′-bis(2-hydroxybenzylidineamino) benzene gold (III) complex	1
Influence of impurity binding energy on the excitation dynamics of doped GaAs quantum dot: Role of noise	1
Recycled Pb/C-catalyzed one-pot synthesis of 1-carbonyl-1H-indoles from 2-iodoanilines and calcium carbide	1
Rh-catalyzed asymmetric hydroformylation of olefins using phosphorus ligands	1
Tailoring approach for exploring vibrational features of large molecular systems: A short review	1
A computational study of proton hopping induced energy stabilization of acetic acid networks	1
A new water-stable cadmium(II) coordination polymer for luminescence sensing of chlortetracycline and Fe3+ ions in aqueous solution	1
Rate coefficients and Arrhenius parameters for the isomerization of 15 selected C7H7+ cations: A computational study	1
Formal [4+2] annulation of β-aminoacrylamides and malononitrile: a synthetic route to substituted pyridin-2(1H)-ones	1
DBU catalyzed (3 + 3) annulation of β′ and δ-acetoxy allenoates with benzo-oxathiin-dioxide and phenylthiazolone: Synthesis of pyrano-oxathiines and pyrano-thiazoles	1
Encapsulation of interstellar molecules inside fullerenes: A molecular capture perspective	1
Poly(4-vinylbenzyl-g-β-butyrolactone) graft copolymer synthesis and characterization using ring-opening polymerization, free-radical polymerization, and “click” chemistry techniques	1
Metal-free, an effective and one-pot protocol for the reductive amination of aldehydes using glycerol as a green solvent	1
One-step synthesis of poly(methyl methacrylate-b-ε-caprolactone) block copolymer by simultaneous ATRP and ROP	1
Introduction to quantum thermodynamic cycles	1
Investigation of mechanical and self-healing properties of hydroxyl-terminated polybutadiene functionalized with 2-ureido-4-pyrimidinone	1
A facile, metal-free synthesis of aryl bromides using molecular bromine-an alternative to the Sandmeyer reaction	1
Mono- versus bifunctionalized Schiff base as a condensation product of m-phenylenediamine and salicylaldehyde: experimental and computational studies	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
Comparative DNA binding ability and phosphatase-like activity of mono and dinuclear Ni (II) complexes: a structure-activity correlation	1
Weaker noncovalent interactions of second transition metal series: A density functional study	1
Innovative synthesis of ketopeptide from lysine and methyl-3-hydroxybutyrate	1
Mapping of DNA base-pair sequence from breathing dynamics of hetero-polymeric DNA: A genetic algorithm-based study	1
Unveiling the design rules for tunable emission in graphene quantum dots: A high-throughput TDDFT and machine learning perspective	1
Monitoring the effect of SDS on the solvation dynamics and structural conformation of β-casein	1
Vinylogous Michael addition of nitroalkylideneoxindoles to isatylidene-malononitriles in the regio- and diastereoselective synthesis of dispirocyclopentylbisoxindoles	1
MnO2 and CuBi2O4 hybrid microstructures for efficient nonenzymatic hydroxylamine detection	1
Phase-space Fisher information and Rényi entropy in the thermodynamic scheme of density functional theory	1
Synthesis of fluorinated analogues of oxyresveratrol and their cytotoxic activity against HepG2 and Caco-2 cancer cells	1
Oxidative decarboxylation of arylacetic acids and arylacetic esters with singlet molecular oxygen generated from trans-5-hydroperoxy-3,5-dimethyl-1,2-dioxolan-3-yl ethaneperoxate	1
A combined surface plasmonic and isotope-selective spectroscopic study toward a deeper understanding of real-time enzymatic urea hydrolysis	1
Synthesis of a new Schiff base probe: Crystal structure, spectral properties, understanding and prospect	1
Can carbene be used for a metal free reduction of carbon dioxide?	1
Correction: Benzoxanthones derivatives: insight into oxalic acid catalyzed synthesis, crystallographic analysis and potential application in dye-sensitized solar cell	1
Effect of substitution on some photophysical properties of pyridine: A comparison with benzene analogues	1
Impurity effects on phase change in Lennard-Jones atomic clusters	1
A highly conjugated tetrakis-lawsone organic cathode material for enhancing the capacity utilization in the zinc-ion batteries	1
Symmetry breaking of BNB (−,0,+): Analysis from non-adiabatic interaction	1
Dynamics and yielding in stimuli-responsive dense polymer microgel colloidal glasses	1
Palladium(II) complex bearing benzothiazole based O,N,S donor pincer ligand: Study of in-vitro cytotoxicity, interaction with CT-DNA and BSA protein	1
Mesomorphic cyanobiphenyl appended thiols as anti-corrosive materials: Electrochemical and theoretical investigations	1
Sunlight-driven photocatalytic degradation of methylene blue via Yb3+-doped Mg–Zn ferrite anchored on carbon nanotubes	1
Ethanol upgrading via alkali-exchanged KL-zeolite: Unravelling catalytic behavior, reaction mechanism and thermodynamic effects	1
Hydrophobic Hydration: A Theoretical Investigation of Structure and Dynamics	1
Preparation of dopamine-loaded microbeads for antioxidant activity and controlled drug release	1
KOH-catalyzed cross-coupling of primary and secondary alcohols: evidence for radical pathways	1
Unveiling novel reactivity of P/Al frustrated Lewis pair: ring size-dependent activation of cyclic ethers/thioethers and CO2 insertion therein	1