Journal of Chemical Sciences

Article	Citations
EDA-NOCV analyses of M−E2 bond: E2 binding and activation [E2 = N2, H2]	55
High-resolution rovibrational cavity ring-down spectroscopy of (1200←0200) vibrational band of β-site-specific N2O isotopologue near 7.8 µm region	43
Intensification of n-octyl acetate synthesis over H5PW10V2O40/FAC catalyst using ultrasound-assisted reactor	34
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	24
Flow-based Ru(II)-catalyzed C–C bond formation between primary and secondary alcohols	23
Theoretical insights into oxyisocyclointegrin: DFT, binding affinity, and pharmacokinetic evaluation for protein kinase inhibition	22
Accurate binding energy of first row transition metal cations (Mn2+, Fe2+, Co2+, Ni2+, Cu2+, and Zn2+) and dichalcogen (S and Se) bridges	20
Zinc ferrite as reusable and green catalyst for synthesis of quinoxaline derivatives	20
Stereodynamic origin of mode selectivity in the $$\textbf{NH}_{3}$$ $$\varvec{+}$$ F $$\varvec{\longrightarrow}$$ $$\textbf{NH}_{2}$$ $$\varvec{+}$$ HF reaction	19
Effect of boron halogenation on dihydrogen bonds: A quantum mechanical approach	19
Core-shell structured Fe3O4@MgO: magnetically recyclable nanocatalyst for one-pot synthesis of polyhydroquinoline derivatives under solvent-free conditions	19
Targeting growth of breast cancer cell line (MCF-7) with curcumin-pyrimidine analogs	19
Governing role of nanoscale curvature on the electronic properties and reactivity of carbon nanotubes	18
First-principles DFT study on the interaction of non-metal oxides with water cluster	18
Topological analysis of non-conjugated ethylene oxide cored dendrimers decorated with tetraphenylethylene: Insights from degree-based descriptors using the polynomial approach	18
Assay of biotin in pharmaceuticals utilizing its inhibitory effect on Pd(II) catalyzed ligand substitution reaction	16
Editorial	15
Corrosion inhibition behavior of the synthesized pyrazoline-sulfonamide hybrid of mild steel in aqueous solutions: experimental and quantum investigations	14
Switching the regio-, stereo- and enantioselectivity in L-proline catalyzed asymmetric Mannich reaction: A case study of H-acceptor and H-donor solvents	13
Novel coumarin-oxadiazole azo dyes for enhanced latent fingerprint detection	13
Crystalline, amorphous and phase change molecular materials: Explorations using the tunable fluorescence of DADQ solids	12
A novel organic fluorescent material: synthesis, structures and optical response properties	12
Detection of ultrafast solvent dynamics employing a streak camera	11
Role of molecular modelling in the development of metal-organic framework for gas adsorption applications	11
Two-step seed-mediated growth for the reproducible synthesis of high quality gold nanorods	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	11
Spectral tuning in cyanobacteriochrome	11
Synthetic access to thiols: A review	11
Investigation of charge recombination losses and charge collection efficiency in DPP-DTT:PC70BM based BHJ solar cell from impedance spectroscopy	10
Understanding pH Tailored Photophysical Properties of a $${\varvec{\pi}}$$-Conjugated Aryl Hydrazone-Derived Dye for Sensing Application	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
Formation of dicyano ruthenium(II) complex mediated by triethylamine via deprotonation of hydrazonochroman-2,4-dione	10
Interaction and dynamics of newly prepared multi-component molten mixture: An alternative reaction medium	10
Activation of water at disiladicarbene: from the perspective of modification of silicon surface with organo-silicon compounds	9
Elucidation of biological and therapeutic potential: an integrated in silico and in vitro investigations of N-hydroxy-2-(naphthalen-1-yl)acetamide ligand and its zinc(II) complex	9
A single electrolyzer-making amides and α-ketoamides together: A “sweet fusion” of electrocatalysis and chemocatalysis!	9
High-resolution spectroscopic probing of allowed and forbidden ortho- and para-nuclear spin-isomers of NH3	9
Understanding the effect of Al doping on steam oxidation of U3Si2 {001} surface: A systematic density functional theory study	9
Geometrical structure and stability of buckminsterfullerene complexes containing mono- and poly-atomic molecules	9
Scope and limitations of the combination of cobalt catalyst and choline hydroxide as green media for Sonogashira coupling and hydration of nitriles	9
Pyrene-tethered self-assembled supramolecular system demonstrating vesicular structures and aggregation-induced emission: synthesis, assembled studies and morphology	8
Diruthenium(II)diacetylide organometallic complexes with thienylethynyl bridging units: Synthesis, characterization and electrochemical properties	8
The anomeric effect (Edward–Lemieux): A conceptual density functional theory viewpoint	8
Stability and morphology of cyanonaphthalene icy mantles on ISM cold dust analogues	8
How good is the time-dependent DFT method for simulating anionic shape resonances of DNA nucleobases?	8
Potassium tert-butoxide promoted a direct one-pot synthesis of nitriles from aldehydes at room temperature	8
Metal-mediated reactions of bromoform with electron-rich and electron-deficient carbon-carbon and carbon-hetero atom multiple bonds	8
Palladium-catalyzed site-selective arylation of alkyl 2,4- and 2,5-dihalobenzoates with aryl titanium reagents	8
High-Performance rGO-ZnO/WO3 heterojunction photocatalyst for solar green hydrogen generation	8
Exciton transport in photosynthetic complex dimers	8
Theoretical investigation of copper clusters using the electron propagator theory	8
PPIscout: Protein–protein interaction site hotspot mapping using mixed amino acid–water molecular dynamics simulation	8
Synthesis of Au–Pd@CeO2 nanocomposite as a potential catalyst for the Buchwald–Hartwig cross-coupling and amination of benzyl alcohol reactions	8
Enhanced chemosensing activity of Schiff base ligand through quantum dot hybridization: Silver and zinc quantum dot-based hybrid receptors for lanthanum ion detection	8
Synthesis of Au/Cu2O/graphene quantum dots nanocomposites and its application for glucose oxidation	7
Improved bioactivities of curcumin pyrazole and its HP$$\beta$$CD inclusion complex compared to curcumin	7
Modulating magnetic exchange and magnetic anisotropy in {3d–4f} complexes using external electric field	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
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
Synthesis, cytotoxic evaluation and ct-DNA binding of series of 1,4-disubstituted anthraquinone-sulfonamide conjugates	7
Higher harmonic anti-resonances in nonlinear coupled systems	7
Retraction Note: Optical detection of nitroaromatic compounds using MAPbBr3 at room temperature	7
Control of magnetic exchange coupling by cation exchange through dibenzo[18]crown-6 channels in [Ni(dmit)2] crystals	7
Role of copper in modified TiO2 for photocatalytic degradation of gaseous isopropanol from air under ultraviolet and visible light radiation	7
Tuning the oxygen electrocatalytic performance of metal-doped graphitic carbon nitride for the development of zinc-air battery	7
Rotamer-induced dynamics in post-synthetically functionalized [2]rotaxanes: Effect of substituents appended to tertiary amide groups	6
Dissolvable layered microneedle patch containing 5-fluorouracil for localized treatment of oral carcinoma	6
Photodissociation pathways in the simplest Criegee intermediate: a semi-classical investigation	6
CexZn1–xO2 catalysts for conversion of propanoic acid to 3-pentanone via ketonization	6
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	6
Design and synthesis of C-α-D-mannopyranoside linked mesoporous silica nanoparticles	6
Understanding the effect of metal-oxygen bond covalency on anionic redox activity of Na-ion-based cathode materials through first-principles	6
Zinc oxide as reusable heterogeneous catalyst for oxazoline synthesis: A kinetic and reusability study	6

Critical and scaling behavior of delayed bifurcations in nonlinear systems with dynamic disorder	6
Low energy electron interaction with citric acid: a local complex potential based time-dependent wavepacket study	6
Molecular and electronic structure analysis of [Fe(CO)4(SiX)] (X = O, S, Se and Te): a DFT study	5
L-Proline assisted expeditious and efficient methodology for the preparation of 2-amino-3-cyanopyridines under aqueous conditions	5
Synthesis of coumarin-linked naphthoquinone fused pyrrole derivatives by HFIP-mediated multicomponent reaction	5
Studies on syntheses and self-assembly behaviour of homoseleno-peptides	5
New cyclam based Zn(II) complexes: effect of flexibility and para substitution on DNA binding, in vitro cytotoxic studies and antimicrobial activities	5
AgNO3-anchored Prussian blue-derived porous Ag/α-Fe2O3 heterostructure with enhanced electrochemical sensing performance towards methylparaben	5
CurvePotGCN – A graph neural network to predict protein–protein interactions using surface curvature and electrostatic potential as node-features	5
Ultrasound-assisted facile and efficient synthesis of novel Benzoxazole derivatives from o-aminocardanol using Indion 190 resin as a reusable catalyst	5
Green synthesis of thiocyanate functionalized carbon quantum dots as a fast and sensitive turn-on fluorescent probe for ascorbic acid detection	5
Why [BMIM]+[PF6]− is hydrophobic and [BMIM]+[BF4]− hydrophilic in nature? A quantum chemical investigation	5
Disodium Anacardate: A Bio-based Catalyst for Room Temperature Synthesis of New, Fluorescent 1, 4-Benzoxazinone and Benzophenoxazinone Derivatives	5
Supercapacitors for energy storage: Fundamentals and materials design	5
ab initio study of structure and energy of Be2+⋅(CO)1−3 complexes	5
Jump-corrected confined Stokes–Einstein relation: An approach for simulating the viscosity of water inside a nanochannel	5
Synthesis, Spectroscopic Characterization, Biocidal evaluation Molecular Docking & DFT Investigation of 16-18 membered Macrocyclic Complexes of Cobalt (II)	5
Selective phosphate adsorption from wastewater using dual Lewis acid catalyst: A metal-free approach	5
Hierarchical hollow-zeolites encapsulating a gold nanoparticle for cyclohexane oxidation	5
Paratungstate-type polyoxometalate: Synthesis, crystal structure and electrochemical studies toward a possible storage system	5
Prediction of interaction energy for rare gas dimers using machine learning approaches	5
Synthesis, X-ray structural characterization, and electrochemical investigations on a semiconducting Ni(II) dithiolate with tris(1,10-phenanthroline)nickel(II) as counter-cation	5
Choline chloride-oxalic acid based deep eutectic solvent: A versatile catalyst for one-pot multicomponent synthesis of highly functionalised tetrahydropyridine	5
Towards self-driving/autonomous material discovery lab	5
Details of ozonolysis of catechol at high temperature and product energy distribution	5
Interplay of structure and dynamics in reaction pathways, chemical reactivity and biological systems	4
Current understanding of the microscopic effects of intrinsically disordered protein aggregates on the interfacial solvent properties	4
Promoting the hydrogenation of citral via supported bimetallic Zn–Pt catalysts on TiO2	4
Synthetic strategies to pyrido fused heterocycles	4
Cholesterol modulation of the ripple phase in DPPC bilayer	4
Synthesis and characterization of new intrinsic self-healing hydroxyl-terminated polybutadiene (HTPB) functionalized with 2-ureido-4-pyrimidinone	4
Synthesis, characterization, and biological evaluation of a β-amino carbonyl and its metal complexes using guanine hydrochloride catalyst	4
Structure and lowest excitation properties of the backbone-modified GC PNA dimers	4
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	4
Imidazole as an organocatalyst for the rapid synthesis of 1H-pyrazolo[1,2-b]phthalazine-5,10-diones in aqueous medium	4
Cu2O-CuO@Fe3O4-SiO2-imine nanostructure: Magnetically separable and efficient catalyst for quinazolinone synthesis	4
Monoacetylated bishydroperoxide-derived singlet molecular oxygen-mediated oxidative coupling of primary and secondary alcohols with phenylhydrazine: Synthesis of 1,3,5-trisubstituted pyrazoles	4
Co-sensitization of red and blue for dye-sensitized solar cells: A sequential approach	4
Broadband impulsive stimulated Raman spectroscopy: A fluorescence-background-free alternative to conventional Raman spectroscopy	4
Synthesis of acid-base bi-functionalized multiwalled carbon nanotube using supercritical carbon dioxide	4
Iron-promoted environmentally benign construction of 2-iodo aroylguanidines and 2-iodo aroyltetrazoles	4
DABCO-based ionic salts: synthesis, characterization, and application as organocatalysts in asymmetric reduction reactions	4
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	4
Photodissociation dynamics of HN3 at 248 nm: a trajectory surface hopping study	4
Synthesis of UiO-66-SO3H-Cl as the recyclable multifunctional catalyst for efficient conversion of glucose to 5–Hydroxymethylfurfural	4
Electronic structure and reactivity of dehydrobenzo[n]annulene incorporated two-dimensional metal-organic frameworks	4
Molecular engineering of diphenylamine-based co-sensitizers for enhanced photovoltaic performance in DSSCs: Achieving a 33 percent improvement over N719	3
Cerium-ion-exchanged copper silicate: for catalytic methanol dehydrogenation	3
Spectroscopic investigation of azo-hydrazo tautomerization in naphthalene-based azo dyes using 1D and 2D NMR	3
The impact of electron-donating and withdrawing groups on diketopyrrolopyrrole-based dye sensitizers: A quantum chemical analysis	3
Electronic structure and stability in small lithium-sulphur clusters: A computational investigation	3
Induced chirality in a binary complex of trifluoroacetic acid with camphor	3
Encapsulation of curcumin in alginate microbeads (AMB) for control release of curcumin	3
Ligand-enabled stabilisation of elusive copper metallocenes	3
Phosphine radical cation catalysis for Markovnikov hydroamination of unactivated alkenes	3
Yttrium nitrate promoted selective cyanoethylation of amines	3
An oxidative expansion mechanism of isatin-derived imines	3
Concise route to stereoselective chlorobenzene-based spiropyrrolidine oxindoles for pursuit as antitubercular agents	3
LED-based broadband cavity-enhanced spectrometer for high-sensitive optical detection of diacetyl in gas phase	3
Effect of accelerator and sulphur concentration on crosslinking, physico-mechanical properties of hydrogenated acrylonitrile butadiene rubber vulcanizates	3
Structure, self-assembly and thermotropic phase behavior of N-acyl and O-alkyl conjugates of phenylalanine and tyrosine: interaction with DNA	3
Molecular docking of biologically active vanadium(III) hydroxamates: Synthesis, structural aspects, electrochemical and thermal behavior	3
Chemical dynamics simulations on the association and ensuing dissociation of the benzene–hexachlorobenzene complex and comparison with benzene dimer and benzene–hexafluorobenzene complexes	3
Environmentally benign synthesis of 2,3-dihydroquinazolin-4(1H)-ones by using sodium hexamolybdochromate (III) as a catalyst	3
Hydrazone analogs as DNA gyrase inhibitors and antioxidant agents: Structure-activity relationship and pharmacophore modeling	3
Synthesis of chromene analogues via oxidative cleavage of 1,2-diols	3
Incorporation of Ag decorated rGO ON TiO2/dye photoanode for dye-sensitized solar cell applications	3
Protonation states of class-C $$\varvec{\beta}$$-lactamases determined by a combination of thermodynamic integration and unified free energy dynamics	3
Thermo-catalytic treatment of waste biopolymers: Potentially ineffectual approach towards resource recovery	3
Emphasized DFT, DNA binding, and electrochemical studies of hybrid 1,3,4-thiadiazole-linked chalcone confined via a sulfur bridge	3
Experimental and theoretical studies on new organotin(IV) complexes with oxygen donor ligand: DNA binding, molecular docking and antimicrobial activity	3
PyCRDFT: A Python package to evaluate chemical reactivity descriptors within conceptual DFT	3
Surface hydrophobicity induced electrochemical nitrogen reduction reaction: A substrate-dependent case study on Cu foam versus Cu foil	3
Discovery of a novel lead compound targeting BRD4 BD2 with a di-phenyl ether fragment: Synthesis, molecular docking and drug-likeness studies	3
Extraction of RMS roughness of Pt, Au and graphene electrodes using electrochemical impedance spectroscopy	3
BSinGe4−n+ (n = 0−2): prospective systems containing planar tetracoordinate boron (ptB)	3
Facile synthesis of adamantyl and bornyl malonates via catalyst-free transesterification	3
Dynamic basis for substrate recognition in a precursor ribosome by erythromycin resistance methyltransferase	3
A helium nanodroplets isolation spectrometer for high-resolution infrared spectroscopy of cold molecules and molecular aggregates	2
Structural tailoring and computational studies of benzothiophene-based charge transfer complexes	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
Enhancement of luminescence behavior of ZnAl2O4: Insight from DFT study	2
A highly efficient and green method for catalyzing the Hantzsch reaction under solvent-free conditions using a seashell/Kaolin calcined system	2
On the nature of the triple hydrogen bond in the cytosine-guanine base pair and its role in the tautomerism	2
QSPR models for n-octanol/water partition coefficient and enthalpy of vaporization using CDFT and information theory-based descriptors	2
Improved control of selective bond dissociation in isotopically substituted ozone molecule $$^{18}$$O$$^{16}$$O$$^{16}$$O using simple Gaussian IR + UV pulses as an illustrative prescription for overc	2
Interactions of actinides with biomolecules in body fluids	2
Transmission of substituent effect through π-conjugation by cyclobutane ring	2
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	2
A multi-branched triphenylamine Schiff base derivative for picric acid turn-on detection	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
Synthesis of rhodium catalyst [Rh(cod)(TTT)2] with amino group ligand and its catalytic performance for phenylacetylene polymerization	2
Reduction of hydrobenzamides: a strategy for synthesizing benzylamines	2
Global, local and non-local reactivity descriptors in conceptual density functional theory	2
Metal-free hydrogen generation from ammonia borane hydrolysis: A study on the effect of pKa of organic acid catalysts	2
First-principles study of defect-induced luminescence mechanism in ternary nitride Li3AlN2	2
A review on recent application of proton transfer photophysics of bipyridine-3,3′-diol in organized assemblies	2
Cu/H–ZSM-5: A highly active and selective catalyst for the production of γ-valerolactone from biomass-derived levulinic acid	2
Thermally stable complexes of Fe(III), Co(II), Ni(II) and Cu(II) with Schiff base derived from 4-aminoacetophenone and salicylaldehyde	2
Polybenzimidazole cross-linked with polymeric ionic liquid to develop PEM	2
A new ionic Schiff base macrocycle as highly selective and sensitive colorimetric chemo-sensor for S2- detection	2
Benzoxanthones derivatives: insight into oxalic acid catalyzed synthesis, crystallographic analysis and potential application in dye-sensitized solar cell	2
A convenient TBHP/Cu(NO3)2·2.5H2O-mediated oxidation of secondary and benzyl alcohols under microwave irradiation	2
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	2
Polyoxometalate-driven assembly of inorganic–organic hybrid materials: Proton conductivity studies	2
Quantum chemical study of molecular hydration of phenylxylopyranose sugar	2
Efficient one-pot process for synthesis of antiviral drug Ganciclovir	2
A new recipe for the isolation of a cationic Mn-pentane σ-complex	2
The effect of nonadiabaticity in H + H$$_2$$ reaction: A quantum wavepacket dynamics on adiabatic and diabatic potential energy surfaces	2
Thiazolamide derivatives containing diphenyl ethers moiety: design, synthesis, fungicidal activity and docking study	2
Green heterogeneous nickel–chromium oxide catalyst for solvent-free, room-temperature Knoevenagel condensation reaction	2
Structure and supramolecular organization of N-acylserinols: agonists of the G-protein coupled receptor, GPR-119	2
Synergism in bimetallic catalytic systems: Fundamentals, synthesis, and applications	2
Synthesis of novel acryloyloxy tamarind kernel-TiO2 nanocomposite film for photocatalytic removal of dye and UV absorption	2
Accurate determination of trace levels of sulphur in silicate minerals by ion-chromatography	2
Synthesis, characterization and application of Fe3O4@SiO2-Schiff base-Cu(II) as a core-shell recyclable nano catalyst for the reduction of nitroaromatics	2
Synthesis and DNA binding studies of pyrene-functionalized cationic block copolymer based on D-galactopyranose and 2-(dimethylamino)ethyl methacrylate	2
Host-guest interactions of 8-aniline-1-naphthalene sulfonic acid with two macrocycles containing 2,6-pyridylamide and dipyrrole units	2
Unravelling the structure and reactivity of N,O-heterocycles: a multifaceted quantum chemical approach using a benzoxazole derivative as a case study	2
Stereochemical regulation of cationic order in supramolecular ionic crystals	2
Computational insights into tuning TADF properties via multiple donor–acceptor linkages	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
A novel water-soluble quinoxalino[2,3-a] phenazine-based organic NIR photothermal agent for cancer phototherapy application	2
CeO2 nanocubes-based electrochemical sensor for the selective and simultaneous determination of dopamine in the presence of uric acid and ascorbic acid	1
Can carbene be used for a metal free reduction of carbon dioxide?	1
A new water-stable cadmium(II) coordination polymer for luminescence sensing of chlortetracycline and Fe3+ ions in aqueous solution	1
Some recent advances of information-theoretic approach in density functional theory	1
Correction to: PyCRDFT: A Python package to evaluate chemical reactivity descriptors within conceptual DFT	1
KOH-catalyzed cross-coupling of primary and secondary alcohols: evidence for radical pathways	1
Monitoring the effect of SDS on the solvation dynamics and structural conformation of β-casein	1
Metal-free, an effective and one-pot protocol for the reductive amination of aldehydes using glycerol as a green solvent	1
Hydrophobic Hydration: A Theoretical Investigation of Structure and Dynamics	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
An inexpensive protein source for the encapsulation of small molecules	1
Organoselenium-based quinoline sensor for superoxide detection and its antitumor activities	1
Molecular mechanism of growth on hexagonal ice: Defining layers, hexagonal-cubic competition and defect directionality for basal plane growth	1
Iodine and acid catalyzed efficient synthesis of anthracenyl porphyrin with different spectroscopic studies	1
[Cu]-Catalyzed cascade self-condensation/cyclization of 2-propargylic alcohols: Access to dihydro-indenopyran and cyclopenta[b]naphthalene scaffolds via cooperative Cu(OTf)2/p-TsOH catalysis	1
Molecular dynamics revelations of structures and dynamics of H3O+, Cu+ and Cu2+ ions within a model polymeric Nafion membrane	1
Thiamine hydrochloride catalyzed environmentally benign synthesis of benzodiazepines in water	1
Transformation of refinery cracked naphtha stream into efficient lubricity improvers for ULSD	1
When glass forged from life’s building blocks learns to heal	1
Encapsulation of interstellar molecules inside fullerenes: A molecular capture perspective	1
Highly sensitive and selective detection of free bilirubin using blue emitting graphene quantum dots (GQDs)	1
One-step synthesis of poly(methyl methacrylate-b-ε-caprolactone) block copolymer by simultaneous ATRP and ROP	1
Rh-catalyzed asymmetric hydroformylation of olefins using phosphorus ligands	1
Theoretical insights into chalcogen bonding assisted anion recognition	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
First-principles insights into biphenylene-based graphynes: promising novel two-dimensional carbon allotropes for thermoelectric applications	1
Recycled Pb/C-catalyzed one-pot synthesis of 1-carbonyl-1H-indoles from 2-iodoanilines and calcium carbide	1
Selection of solid-state electrolytes for lithium-ion batteries using clustering technique	1
Lignin-derived Brønsted acidic catalyst for the green synthesis of biologically relevant indole derivatives	1
A novel synthesis of C3-carbonylated imidazopyridines by the ring opening and closing cascade (ROCC) mechanism	1
Thin films of azobenzene dicarboxylate-based Cu-MOF: Generating electronic heterostructure by molecular doping	1
Innovative synthesis of ketopeptide from lysine and methyl-3-hydroxybutyrate	1
Conformers of Piperazine on air-water interface studied by VSFG spectroscopy	1
Non-enzymatic glucose oxidation to gluconic acid with N, N′-bis(2-hydroxybenzylidineamino) benzene gold (III) complex	1
Ancient ambidextrous protein defies the rule of molecular handedness	1
Vinylogous Michael addition of nitroalkylideneoxindoles to isatylidene-malononitriles in the regio- and diastereoselective synthesis of dispirocyclopentylbisoxindoles	1
Synthesis of glycerol acetins as fuel additives: Acetylation of glycerol with SnTPA catalyst	1
Hydrogen bond potentials for some HCN and HNC complexes	1
Vibrationally enhanced product (HeH+) cross section for the reaction, He + H+2 (v = 0 and 1; j = 0) $$ \rightarrow$$ HeH+ + H	1
A chiral route to controlling spin chirality	1
Phase-space Fisher information and Rényi entropy in the thermodynamic scheme of density functional theory	1
Synthesis of a new Schiff base probe: Crystal structure, spectral properties, understanding and prospect	1
Crystal engineering of 3-aminopyridinium incorporated Strandberg-type cluster-based solids: Synthesis, structure and optical properties	1
Atropinium dithiophosphates and dithiophosphonates on the basis of α-D-glucofuranose and α-D-galactopyranose diacetonide scaffolds	1
Formal [4+2] annulation of β-aminoacrylamides and malononitrile: a synthetic route to substituted pyridin-2(1H)-ones	1
Highly recyclable palladium ion substituted TiO2 as the versatile ligand-free catalyst for the selective oxidation of alcohols and the reduction of nitroarenes	1
Metal-free C(sp3)-H Bromination: Synthesis of Phenacyl bromide and Benzyl bromide derivatives	1
Generative schemes for drug design with shape captioning	1
Aroylhydrazone-based transition metal complexes: Structural features, coordination diversity and catalytic applications	1
Synthesis, characterization, Density Functional Theory (DFT) calculation, and fluorescent study of an efficient and novel Schiff base Cu(II) sensor	1
A dual-responsive luminescent Zn(II) coordination polymer as sensor for the detection of acetylacetone and Fe3+ ion	1