Journal of Physical Organic Chemistry

Article	Citations
Molecular designing of high‐performance 3D star‐shaped electron acceptors containing a truxene core for nonfullerene organic solar cells	85
Learning how to fine‐tune diradical properties by structure refinement	59
Quantum chemical design of near‐infrared sensitive fused ring electron acceptors containing selenophene as π‐bridge for high‐performance organic solar cells	56
Designing of U‐shaped acceptor molecules for indoor and outdoor organic solar cell applications	48
Recent advances and attempts in synthesis of conjugated nanobelts	46
Role of carbonate electrolytes on interaction of quinolone drug with anionic surfactant at various temperatures: A conductometric study	31
Insights into end‐capped modifications effect on the photovoltaic and optoelectronic properties of S‐shaped fullerene‐free acceptor molecules: A density functional theory computational study for organ	29
Preparation, spectroscopic study of Schiff base derived from dopamine and metal Ni(II), Pd(II), and Pt(IV) complexes, and activity determination as antioxidants	27
Unveiling the high reactivity of strained dibenzocyclooctyne in [3 + 2] cycloaddition reactions with diazoalkanes through the molecular electron density theory	21
Unveiling the high regioselectivity and stereoselectivity within the synthesis of spirooxindolenitropyrrolidine: A molecular electron density theory perspective	21
Sensing of toxic Lewisite (L1, L2, and L3) molecules by graphdiyne nanoflake using density functional theory calculations and quantum theory of atoms in molecule analy	19
Lewis acids and bases as molecular dopants for organic semiconductors	19
Adsorption of methylene blue onto sugarcane bagasse‐based adsorbent materials	18
Promising iron(II) complexes of curcumins: designing, density functional theory, and molecular docking	17
Photocatalytic degradation of basic blue dye using zinc nanoparticles decorated graphene oxide nanosheet	17
An insight for the interaction of drugs (acyclovir/ganciclovir) with various ionic liquids: DFT calculations and molecular docking	16
Quantitative comparison of the actual antioxidant activity of Vitamin C, Vitamin E, and NADH	16
Interaction of metformin hydrochloride with ionic surfactants in aqueous and NaCl solution: Effect of temperatures and compositions	16
An insight of novel eutectic mixture between thiazolidine‐2,4‐dione and zinc chloride: Temperature‐dependent density functional theory approach	15
Noncovalent interactions: A brief account of a long history	15
Impact of halogens on electronic and photovoltaic properties of organic semiconductors: A multiscale computational modeling	14
Investigate the interaction of testosterone/progesterone with ionic liquids on varying the anion to combat COVID‐19: Density functional theory calculations and molecular docking approach	13
The road to bis‐periazulene (cyclohepta[def]fluorene): Realizing one of the long‐standing dreams in nonalternant hydrocarbons	13
Physical‐organic aspects along with linear and nonlinear optical properties of benzene sulfonamide compounds: In silico analysis	13
Molecular modeling approach for designing of amino‐derived anti‐Alzheimer agents: A computational study	12

Design, synthesis, characterization, and in vitro cytotoxic activity evaluation of 1,2‐disubstituted benzimidazole compounds	12
Electrophilicity and nucleophilicity scales at different DFT computational levels	12
Density functional and graph theory computations of vibrational, electronic, and topological properties of porous nanographenes	11
Dynamic effects on organic reactivity—Pathways to (and from) discomfort	10
Boron difluoride hydrazone (BODIHY) complexes: A new class of fluorescent molecular rotors	10
Cibalackrot‐type compounds: Stable singlet fission materials with aromatic ground state and excited state	10
Studies of electric, dielectric properties, and conduction mechanism of {(C2H10N2)(MnCl (NCS)2)2}n polymer	10
A DFT study on the mechanism of the formation of 1,4,2,3‐dithiadiazinanes by head‐to‐head [3 + 3] cyclodimerization of thiocarbonyl S‐imides	9
Characterization of IR spectroscopy, APT charge, ESP maps, and AIM analysis of C20 and its C20‐nAln heterofullerene analogous (n = 1–5) using DFT	9
Variation in electrophilicity on electronic excitation	9
Molecular engineering of Pyran‐fused acceptor–donor–acceptor‐type non‐fullerene acceptors for highly efficient organic solar cells—A density functional theory approach	8
On the peroxyl radical scavenging ability of β‐sitosterol in lipid media: A theoretical study	8
Designing of PC31BM‐based acceptors for dye‐sensitized solar cell	8
A novel diarylethene‐based fluorescence sensor with a benzohydrazide unit for the detection of Zn2+	8
Spectroscopic characterization for new complexes with 2,2′‐(5,5‐dimethylcyclohexane‐1,3‐diylidene)bis(azan‐1‐yl‐1‐ylidene)dibenzoic acid	8
Machine learning analysis of dynamic‐dependent bond formation in trajectories with consecutive transition states	8
DABCO as a potential catalyst for the CO2 fixation: A density functional theory and ab initio molecular dynamics study	8
Metal‐free Kinugasa reaction catalyzed by external electric field	8
Thermodynamic analysis of micelles formation of anionic surfactant SDS in the presence of aqueous and aqueous solution of ionic liquid 1‐butyl‐3‐methylimidazolium chloride	8
Pentazole (N5H) as a possible catalyst for CO2 activation: Density functional theory (DFT) and ab initio molecular dynamics (AIMD) studies	7
On the empirical scales of organic solvents established using probe/homomorph pairs	7
Comparative studies of the noncovalent interactions in the single‐crystal packing of pyrene, pyrene‐4,5‐dione, and pyrene‐4,5,9,10‐tetraone	7
Mechanisms of Csp2–H functionalization of aldehydes with triplet O2 catalyzed by NHPI: A density functional theory investigation	7
Substituent effects of fused Hammick germylenes: Estimating the stability and reactivity using density functional theory	7
Azaboracyclooctatetraenes reveal that the different aspects of triplet state Baird‐aromaticity are nothing but different	6
Local anesthetics transfer relies on pH differences and affinities toward lipophilic compartments	6
Density functional estimation of hydride and proton affinities of substituted allenes and heteroallenes	6
Removal of erythrosine B dye from wastewater using chitosan boric acid composite material: Experimental and density functional theory findings	6
Deciphering the fluorescence quenching mechanism of a flavonoid drug following interaction with human hemoglobin	6
Text‐based representations with interpretable machine learning reveal structure–property relationships of polybenzenoid hydrocarbons	6
Ultrasonic assisted preparation of some new zinc complexes of a new tetradentate Schiff base ligand: thermal analyses data, antimicrobial and DNA cleavage potential	6
Detailing the elementary stages in the oxirane ring opening reactions with carboxylic acids catalyzed by tertiary amines	6
Synthesis, optical nonlinear properties, and all‐optical switching of curcumin analogues	6
On the solvent‐ and temperature‐driven stereoselectivity of the Diels–Alder cycloaddition reactions of furan with maleic anhydride and maleimide	6
Influence of substituent and push‐pull effect on the chemical shifts of the carbon in bridging bond of 1‐furyl/thienyl‐2‐arylethylene	6
Betanidin isomerisation and decarboxylation, thermodynamic and charge transfer dye properties towards dye sensitised solar cells application	6
Computational exploration of the 1,3‐dipolar cycloaddition reaction of 7‐isopropylidenebenzonorbornadiene with nitrile oxide and cyclic nitrone derivatives	6
Stacked antiaromaticity in the π‐congested space between the aromatic rings in the anthracene dimer	6
Investigation analysis of optoelectronic and structural properties of cis‐ and trans‐structures of azo dyes: density functional theory study	6
Metal‐free catalytic activation and borylation of the ––H bond of 1‐methyl pyrrole using adamantane‐derived aminoborane frustrated Lewis pairs: A density functional theory study	5
A time‐dependent density function theory study on the substituent effect on excited‐state intramolecular proton transfer of 4′‐methoxy‐3‐hydroxyl flavone	5
Carboxylic acid catalysis on the imine formation versus aza‐Michael reaction in apolar aprotic solvent	5
Self‐assembled supramolecular organogels of perylene diimide derivatives	5
Effects of the functional groups amino and nitro on the reactivity of benzoxazoles and comparison with homologous benzothiazoles	5
Capture of CO2 by novel diiodo‐N,N‐imidazoliumvinylidene: A theoretical quest	5
Electronegativity: A continuing enigma	5
DFT insights into the structure, reactivity and radical scavenging activity of cycloartocarpesin	5
The effect of zero‐point energy in simulating organic reactions with post‐transition state bifurcation	5
Cover Image	5
Photolysis and thermolysis of (iodomethyl)cyclopropane: Rapid ring opening of cyclopropylcarbinyl via heavy‐atom tunneling?	4

In silico end‐capped engineering of 4,4′‐dimethyl‐[2, 2′‐bithiazole] core‐based acceptor materials for high‐performance organic solar cells	4
The influence of amino substituents on the signal‐output, selectivity, and sensitivity of a hydroxyaromatic 1,2,3‐triazolyl chemosensor for anions—A structure–property relationship investigation	4
On the viability of divergent donor moieties in malononitrile‐based donor‐π‐acceptor NLO active materials: A DFT/TD‐DFT study	4
The effects of solvent nature and steric hindrance on the reactivity, mechanism and selectivity of the cationic imino‐Diels–Alder cycloaddition reaction between cationic 2‐azadienes and arylpropene	4
A study on the aromaticity and conjugation pathways of diheterodiazuliporphyrins and their dications	4
Deciphering the role of (anti)aromaticity in cofacial excimers of linear acenes	4
On the temperature‐dependent isomerization of all‐trans‐1,6‐diphenyl‐1,3,5‐hexatriene in solution: A reappraisal	4
Alanine serine cysteine transporter (ASCT) substrate binding site properties probed with hydroxyhomoserine esters	4
Regio‐, stereo‐, and site‐selectivities of 1,3‐dipolar Cycloaddition reaction of benzonitrile oxide with unsymmetrically substituted norbornenes and norbornadienes: A computational study	4
A new insight into the push‐pull effect of substituents via the stilbene‐like model compounds	4
Computational study on the reduction and solvolysis of triplet chlorobenzenes	4
Free‐radical catalyzed oxidation reactions with cyclohexene and cyclooctene with peroxides as initiators	4
Phenolic compounds extraction from propolis using imidazole‐based ionic liquids: A theoretical and experimental study	4
Optoelectronically active luminescent valine‐substituted perylene diimide: structure‐property correlation via spectroscopic and density functional approaches	4
Theoretical study on excited state intramolecular proton transfer mechanism of thiazole complex in different kinds of solvents	4
Exceptional design of super/hyperbases based on spiro‐alleneic structures in gas phase: A density functional theory study	4
Visible light‐induced photodeoxygenation of polycyclic selenophene Se‐oxides	4
Synthesis, characterization and computational studies for (2′S*,3R*,3′S*,8a′R*)‐2′,3′‐bis(ethoxycarbonyl)‐2‐oxo‐2′,3′‐dihydro‐8a′H‐spiro[indoline‐3,1′‐indolizine]‐6′‐carbox	4
Modulating excited‐state intramolecular proton transfer of 2‐(5‐(4‐carboxyphenyl)‐2‐hydroxyphenyl)benzothiazole depending on substituents: A DFT/TD‐DFT study	4
Computational analysis of peroxyl radical scavenging capacity of coumestrol: insights into kinetics and reaction mechanisms	4
Computationally assisted design and prediction of remarkably boosted NLO response of organoimido‐substituted hexamolybdates	3
Spectroscopic characterization for new model from Schiff base and its complexes	3
Autocatalyzed oxidation of d‐glucitol by alkaline copper (III) periodate complex: A kinetic and mechanistic approach	3
Theoretical kinetic studies of ethynyl radical with n‐butane	3
Crystal structure and homopolar dihydrogen interactions in propano‐bridged indigo	3
Influence of H‐bonds on acidity of deoxy‐hexose sugars	3
Regio‐, enantio‐, peri‐, and stereo‐selectivities of the reactions of five‐membered cyclodiene derivatives with itaconic anhydride toward the formation of norbornene lactones	3
Hydrogen bonding probes electron density variations at the basic center in substituted alkyl benzoates: Theory and experiment	3
Not all acid sites are created equal: Alkene isomerization and dimerization occur on separate sites on Amberlyst®15 catalyst	3
Hydrophobicity and self‐association (micellization) of bile salts with a lactone or lactam group in a steroid skeleton	3
In the quest of Hückel–Hückel and Hückel–Baird double aromatic tropylium (tri)cation and anion derivatives	3
Ligand effect on the stability, reactivity, and acidity of imidazolium systems	3
Exploring influence of fluorine substitution on the strength and nature of halogen bond between iodobenzene and hydrogen cyanide	3
Solvent‐polarity‐dependent excited‐state behaviors for 2‐(2‐hydroxyphenyl) benzothiazole‐5‐(9H‐carbazol‐9‐yl)phenol fluorophore: A theoretical study	3
Topological electron density properties at critical points along aromatic rings as reactivity and regioselectivity descriptors in electrophilic substitutions	3
Theoretical study on N‐oxide pentazolate high‐energy‐density materials: Toward excellent energetic performance and good stability	3
Fluoride anion sensing mechanism of 2‐(quinolin‐2‐yl)‐3‐hydroxy‐4H‐chromen‐4‐one chemosensor based on inhibition of excited state intramolecular ultrafast proton transfer	3
Direct dynamics simulation of the thermal O(3P) + dimethylamine reaction in the triplet surface. I. Rate constant and product branching	3
Reaction of hydroxyl radical with arenes in solution—On the importance of benzylic hydrogen abstraction	3
Benzothiazole‐based chemosensor: a quick dip into its anion sensing mechanism	3
Gas‐phase experimental and computational studies of human hypoxanthine‐guanine phosphoribosyltransferase substrates: Intrinsic properties and biological implications	3
Synthesis, photophysical, and theoretical studies on π‐conjugated copolymers based on benzothiadiazole and cyanopyridine acceptor moieties along with other π‐bridge units	3
Mechanisms of Ssp3–H functionalization of thiolacetic acid: A density functional theory investigation	3
Lactic acid photochemistry following excitation of S0 to S1 at 220 to 250 nm	3
Organic triplets as free radical pairs: Everything old is new again	3
Impact of polycyclic aromatic hydrocarbons and heteroatomic bridges (N, S, and O) on optoelectronic properties of 1,3,5‐triazine derivatives: A computational insight	3
Dynamics of the mixtures of fullerene‐60 and aromatic solvents: A molecular dynamics approach	3
Electronic and optical properties of lead‐free double perovskites A2BCl6 (A = Rb, Cs; B = Si, Ge, Sn) for solar cell applications: A systematic computational study	3
A theoretical study on blue‐green phosphorescent iridium (III) complexes with low‐efficiency roll‐off properties	3
Quest of Schiff bases as corrosion inhibitors: A first principle approach	3
Revealing the influence of tether length on the intramolecular [3 + 2] cycloaddition reactions of nitrones from the molecular electron density theory perspective	3
Competition between the stabilizing effects of saturated alkyl substituents and pi bonds on complexes of silver ion (Ag+) with alkenes	3
Spectroscopic and computational evidence for the concerted mechanism of the Wagner‐Jauregg reaction	3
Theoretical investigation of para amino‐dichloro chalcone isomers, part I: A DFT structure—stability study	3
Augmented Hückel molecular orbital model of π‐electron systems: from topology to metric. I. General theory	3
The effect of intramolecular hydrogen bond on the ultraviolet absorption of bi‐aryl Schiff bases	3
Stability, atomic charges, bond‐order analysis, and the directionality of lone‐electron pairs on nitriles and isocyanides	3
Stereoelectronic effects: Perlin effects in cyclohexane‐derived compounds	3
The synergetic and multifaceted nature of carbon–carbon rotation reveals the origin of conformational barrier heights with bulky alkane groups	3
Revisiting the photochemistry 2,5‐dihydroxy benzoic acid (gentisic acid): Solvent and pH effect	3
Multiconformer transition state theory rate constant and branching ratios for the OH‐initiated reaction of CH3OCF2CHF2 and its primary product, HC(O)OCF2CHF	3
Charge‐activated TADDOLs: Recyclable organocatalysts for asymmetric (hetero‐)Diels–Alder reactions	3
Unraveling the effect of fluorine substitution on the hydrogen bonding interaction in the complexes of fluorosubstituted pyridines and acetic acid	3
Molecular docking, synthesis, anticancer activity, and computational investigations of thiazole‐based ligands and their Cu(II) complexes	3
Recognition of monocarboxylic acids by imidazole‐containing receptors	3
A G4 approach to computing the Hammett substituent constants σp, σm, σ−, σ+, and σ+m	3
Aromaticity and antiaromaticity in monoheterocyclic three‐membered rings: Application of natural bond orbital theory	3
Theoretical investigation of excited state charge and proton transfer mechanism for the novel 10‐methyl‐indolo[2,3‐a]‐indolo[2,3‐a′]acridone molecule	3
Fluoride ion‐induced gas sensor based on the dipyrromethene boron difluoride derivative: A theoretical investigation	2
A peroxo‐Mo(VI)/Mo(VI)‐mediated redox synthesis of quinazolin‐4(3H)‐ones and their aggregation‐induced emission property and mechanism	2
Sensing of fluoride anion based on desilylation and intramolecular charge transfer of 2‐[2‐(tert‐butyl‐diphenyl‐silanyloxy)‐phenyl]‐4,5‐diphenyl‐1H‐imidazole	2
Anion receptors with 1,3,5‐triazacyclohexane and 1,4,7,10‐tetraazacyclododecane scaffolds	2
Revisiting the superaromatic stabilization energy as a local aromaticity index for excited states	2
Augmented Hückel molecular orbital model of π‐electron systems: from topology to metric. II. Hydrocarbon and carbon molecules	2
Synthesis of nitrophenyl and fluorophenyl azides and diazides by SNAr under phase‐transfer or microwave irradiation: Fast and mild methodologies to prepare photoaffinity labeling, crosslink	2
Tautomeric and E‐Z equilibria of the herbicide clethodim in water and organic solvents: A nuclear magnetic resonance and theoretical study	2
Incorporation of graphene oxide to metal‐free phthalocyanine through hydrogen bonding for optoelectronic applications: An experimental and computational study	2
The optical spectra of DMAC‐based molecules for organic light‐emitting diodes: Hybrid‐exchange density functional theory study	2
A theoretical mechanistic study of [K ⊂ [2.2.2]]+ enantiomerization	2
Theoretical research on the direct carboxylation of benzene with CO2 catalyzed by different carbene‐CuOH compounds	2

Absorption and fluorescence spectra of conjugated polymers poly(propylene oxide)–poly(phenylene ethynylene) interpreted by Franck–Condon simulation	2
A density functional theory investigation on bis(diethylamino)cyclopropenylidene catalyzed synthesis of 1,4‐bifunctional compounds	2
Unveiling the dehydrogenation mechanism of dihydrogen‐bonded phenol‐borane‐dimethylamine complex in the ground and excited states	2
Validation of valence bond and molecular orbital models in analyzing the anionic hyperconjugation effect on the stability of alkyl and fluorinated carbanions in gaseous phase	2
A deeper computational look at Mumm rearrangement: Evaluation of substituent, solvent, and temperature effects	2
My first and my latest publication	2
Synthesis, structure, Hirshfeld surface, DFT, and molecular docking studies of a new organic cocrystal: creatinine:2,3‐pyridinedicarboxylic acid	2
Experimental and theoretical study of optical properties of pyrromethene (PM‐597) laser dye in binary eco‐friendly solvent	2
Computational mechanistic study of human liver glycerol 3‐phosphate dehydrogenase using ONIOM method	2
Theoretical unraveling detailed excited state proton transfer mechanism for 2,5‐bis (benzoxazol‐2‐yl)thiophene‐3,4‐diol‐ethyl compound in different solvents	2
Estimating the stability and reactivity of novel bicyclic germylenes at density functional theory	2
Spirocyclization enhances the Diels–Alder reactivities of geminally substituted cyclopentadienes and 4H‐pyrazoles	2
Developing new derivatives of 3‐X‐4‐hydroxy‐2(1H)‐quinolone as quinoline‐based chemosensors for detecting fluoride: Theoretical study on nucleophilicity and hydrogen‐bonding via various analyse	2
Effect of benzene ring on the excited‐state intramolecular proton transfer mechanisms of hydroxyquinoline derivatives	2
Theoretical insights into effects of solvent polarity on excited‐state N–H proton transfer behavior for a new fluorophore of 3‐tosylamino‐N‐cyclohexylphthalimide	2
Assembling properties of 3,6‐dinitropyrazolo‐[4,3‐c]pyrazole‐based energetic compounds	2
Investigation of the complexation behavior of polyethylene oxide with surfactant ternary mixture: Conductometry	2
Cover Image	2
Metal‐ion sensor composed of self‐assembled monolayer of amine ligand formed by the use of molecular tripod	2
Solvent inhibition profiles and inverse solvent isotope effects for enzymatic methyl transfer catalyzed by nicotinamide N‐methyltransferase	2
Fischer and Schrock carbene complexes in the light of global and local electrophilicity‐based descriptors	2
Excited‐state aromaticity and antiaromaticity special issue	2
Substituted ketenes offer exceptional carbon bases in gas phase: Computational study by density functional theory method	2
Evidence that π‐ligand exchange reactions of chalcogen iranium ions proceed via Hückel pseudocoarctate transition states	2
On the photophysics of a polyene dissolved in n‐alkanes when the temperature drops from 293 to 77 K	2
A theoretical evaluation for new fused remote N‐heterocyclic silylenes (RNHSis) using density functional theory	2
Gibbs energies of activation for reacting systems with multiple reactant‐state and transition‐state conformations	2
New indolo[1,2‐c]quinazolines for single‐crystal field‐effect transistor: A united experimental and theoretical studies	2
Structure, bonding, and interaction with molecular hydrogen of the β‐D‐glucopyranose―silver+ (1:1) complex	2
Determination and application of the excited‐state substituent constants of pyridyl and substituted phenyl groups	2
Prediction of the kinetic stability of N‐alkyl‐X‐pyridinium ions in dichloromethane	2
On the mechanism of the Au(I)‐mediated addition of alkynes to anthranils to furnish 7‐acylindoles	2
Adaptive aromaticity in osmapentalene and osmapyridinium complexes with carbone ligands	2
Insights into the influence of functional groups on the properties of graphene from first‐principles calculations	2
Effects of Brønsted acid cocatalysts on the activities and selectivities of charge‐enhanced thiourea organocatalysts in Friedel–Crafts and oxa‐Pictet–Spengler reactions	2
Evaluation of the inhibition effect of novel cyclohepta[b]pyridine derivatives for copper corrosion and theoretical calculations	2
A computational study of double perovskites A2BI6 (A = Cs, K, Rb; B = Pt, Sn) invoking density functional theory	2
Effect of external electric field on hexadiene homolog C6H6(SiF2)3	2
Antioxidant and anticancer properties of plant‐based bioactive flavonoids cardamonin and alpinetin: A theoretical insight from •OOH antiradical and Cu (II) chelation mechanisms	2
Identifying the role of excited‐state proton transfer and photoinduced electron transfer in detecting hypochlorous acid for a benzothiazole‐based colorimetric fluorescent probe	2
Structural and physical properties of trichloroethylene under an external electric field	2
A DFT approach toward designing selenophene‐based unfused small molecule acceptors by end‐capped modification for improving the photovoltaic performance of organic solar cells	2
Effects of solvents on the excited‐state intramolecular proton transfer in 3‐HTC	2
The synthesis of pyrrole from C4‐olefinated isoxazole catalyzed by ruthenium: A density functional theory study	2
Understanding photoenolization of O‐methyl acetophenone, and its subsequent [4 + 2] and 1,4 addition of its photoproduct from an aromaticity perspective	2
Mechanistic insights on the radical scavenging activity of oat avenanthramides	2
Engineering the packing structure of thioether‐ and sulfone‐substituted dibenzo[a,e]pentalenes by pentafluorophenyl substitution	2
Analysis of the relative stability of trigonal and tetrahedral boronate cyclic esters in terms of boronic acid and diol acidities and the strain release effect	2
Carbon disulfide solvent, helping to clarify the Stokes shift in diphenylpolyenes	2
First principles study of the optical response of Au8 cluster conjugated with methionine, tryptophan, and tryptophyl‐methionine dipeptide	2
Predicting novel strong acids of plumbylene at theoretical levels	2
Synthesis, photophysical properties and DFT studies of pyrrolo[1,2‐a]quinoxaline hosted novel hole transporting molecules for perovskite solar cell (PSC)	2
An investigation to understand the correlation between the experimental and density functional theory calculations of noscapine	2
Impact of added ligand oxides in the sulfoxidation of phenylmercaptoacetic acids with oxovanadium(IV)‐salen complexes	2
Density functional theory studies on two novel poly‐nitrogen compounds: N5+N3− and N5+N5−	2
Origin and turnaround of enantioselectivity in a chiral organocatalysed Diels‐Alder reaction: A mechanistic study	2
Aromaticity study of singlet‐ and triplet‐state corannulene dianion and dication	2
Synthesis, crystal structure, photoisomerization, and DFT studies of novel azo compounds based on imidazole	2
Physicochemical insights into the rational designing of new acceptor molecules by donor bridge modifications for efficient solar cells: In silico chemistry	2