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Understanding the mechanism of polar Diels–Alder reactions
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inferred← citeshttps://doi.org/10.1002/slct.201601384openalex-snapshot
Aromaticity in Pericyclic Transition State Structures? A Critical Rationalisation Based on the Topological Analysis of Electron Density
inferred← citeshttps://doi.org/10.1002/slct.201700996openalex-snapshot
A DFT Study on Mechanisms and Origin of Selectivity of Phosphine‐Catalyzed Vicinal Acylcyanation of Alkynoates
inferred← citeshttps://doi.org/10.1002/slct.201701679openalex-snapshot
A DFT Study of N‐Heterocyclic Carbene Catalyzed [4+2] Annulation between Saturated Carboxylate with ortho ‐Quinone Methide: Possible Mechanisms and Origin of Enantioselectivity
inferred← citeshttps://doi.org/10.1002/slct.201702136openalex-snapshot
Understanding the Intramolecular Diels‐Alder Reactions of N‐Substituted N‐Allyl‐Furfurylamines: An MEDT Study
inferred← citeshttps://doi.org/10.1002/slct.201702442openalex-snapshot
Diels‐Alder Reaction of Levoglucosenone with a Protected cis ‐Cyclohexadienediol: Structural and Electronic Basis behind the Unexpected Stereoselectivity
inferred← citeshttps://doi.org/10.1002/slct.201702588openalex-snapshot
Experimental and Theoretical MEDT Study of the Thermal [3+2] Cycloaddition Reactions of Aryl Azides with Alkyne Derivatives
inferred← citeshttps://doi.org/10.1002/slct.202001061openalex-snapshot
A Study of the Effects of the Lewis Acid Catalysts on Oxa‐Diels‐Alder Reactions through Molecular Electron Density Theory
inferred← citeshttps://doi.org/10.1002/slct.202101990openalex-snapshot
Reaction of Aroylpyrrolobenzothiazinetriones with Electron‐Rich Dienophiles
inferred← citeshttps://doi.org/10.1002/slct.202201435openalex-snapshot
Does Cr(CO) 3 Really behave as Catalyst in the Diels‐Alder Reaction of Styrene with Cyclopentadiene? A Molecular Electron Density Theory Study
inferred← citeshttps://doi.org/10.1002/slct.202300710openalex-snapshot
Diels‐Alder Reaction of Oxazolidine‐fused Butadienes Toward Alkenes: Shedding Light on the Energetics, Selectivities, and Molecular Mechanistic Aspects by a Density Functional Theory Study
inferred← citeshttps://doi.org/10.1002/slct.202303207openalex-snapshot
Investigating the Chemical Reactivity of Kahalalides: A Promising Source of Therapeutic Peptides from Marine Natural Products Using Conceptual Density Functional Theory
inferred← citeshttps://doi.org/10.1002/tcr.202200150openalex-snapshot
Fifty Years of a Dispute. A Triptych: Why Woodward?**
inferred← citeshttps://doi.org/10.1007/978-3-030-75622-2_9openalex-snapshot
Relative Aromaticity of Pyrrole, Furan, Thiophene and Selenophene, and Their Diels–Alder Stereoselectivity
inferred← citeshttps://doi.org/10.1007/978-3-031-39470-6_2openalex-snapshot
A Generalized Force-Modified Potential Energy Surface (G-FMPES) for Mechanochemical Simulations
inferred← citeshttps://doi.org/10.1007/s00214-014-1606-2openalex-snapshot
Theoretical investigation on SnCl4-catalyzed tandem dimerization/oxy-2-azonia-Cope rearrangements between β,γ-unsaturated ketones and imines
inferred← citeshttps://doi.org/10.1007/s00214-016-1909-6openalex-snapshot
Understanding the carbenoid-type reactivity of nitrile ylides in [3+2] cycloaddition reactions towards electron-deficient ethylenes: a molecular electron density theory study
inferred← citeshttps://doi.org/10.1007/s00214-016-2028-0openalex-snapshot
Understanding the reaction mechanism of the Lewis acid (MgBr2)-catalysed [3+2] cycloaddition reaction between C-methoxycarbonyl nitrone and 2-propen-1-ol: a DFT study
inferred← citeshttps://doi.org/10.1007/s00214-017-2133-8openalex-snapshot
A molecular electron density theory study of [3 + 2] cycloaddition reactions of chiral azomethine ylides with β-nitrostyrene
inferred← citeshttps://doi.org/10.1007/s00214-020-02709-6openalex-snapshot
Perfluorobicyclo[2.2.0]hex-1(4)-ene as unique partner for Diels–Alder reactions with benzene: a density functional theory study
inferred← citeshttps://doi.org/10.1007/s00214-021-02811-3openalex-snapshot
Unveiling [3 + 2] cycloaddition reactions of benzonitrile oxide and diphenyl diazomethane to cyclopentene and norbornene: a molecular electron density theory perspective
inferred← citeshttps://doi.org/10.1007/s00214-021-02812-2openalex-snapshot
Theoretical study of the Diels–Alder reaction of 3-bromo-1-phenylprop-2-ynone with furan and 2-methylfuran
inferred← citeshttps://doi.org/10.1007/s00214-022-02872-yopenalex-snapshot
Mechanistic studies on stereoselective domino [4 + 2]/retro[3 + 2]/[3 + 2] cycloaddition reactions of oxadiazoles with strained and unstrained cycloalkenes
inferred← citeshttps://doi.org/10.1007/s00214-022-02874-wopenalex-snapshot
A theoretical investigation of the regio- and stereoselectivities of the [3 + 2] cycloaddition reaction between ethyl vinyl ether and substituted α-alkoxynitrones
inferred← citeshttps://doi.org/10.1007/s00214-022-02880-yopenalex-snapshot
Lewis acid-catalyzed Diels–Alder cycloaddition of 2,5-dimethylfuran and ethylene: a density functional theory investigation
inferred← citeshttps://doi.org/10.1007/s00214-022-02902-9openalex-snapshot
Role of non-covalent interactions in deciding the fate of product formation in bifunctional thiourea-assisted chiral organic reactions
inferred← citeshttps://doi.org/10.1007/s00214-022-02915-4openalex-snapshot
Quantum chemical study on the mechanism and selectivity of [3 + 2] cycloaddition reactions of aryl nitrile oxides with furanone
inferred← citeshttps://doi.org/10.1007/s00214-023-02972-3openalex-snapshot
Unveiling the mechanism, selectivity, solvent and temperature effects on the [3 + 2] cycloaddition reaction of N-methyl-C-(2-furyl) nitrone with maleimide derivatives from the molecular electron density theory perspective
inferred← citeshttps://doi.org/10.1007/s00214-023-03019-3openalex-snapshot
Digging on the mechanism of some Diels–Alder reactions: the role of the reaction electronic flux
inferred← citeshttps://doi.org/10.1007/s00706-012-0735-3openalex-snapshot
Kinetics of the [4+2] cycloaddition of cyclopentadiene with (E)-2-aryl-1-cyano-1-nitroethenes
inferred← citeshttps://doi.org/10.1007/s00706-012-0885-3openalex-snapshot
Experimental and theoretical studies of Diels–Alder reaction between methyl (Z)-2-nitro-3-(4-nitrophenyl)-2-propenoate and cyclopentadiene
inferred← citeshttps://doi.org/10.1007/s00706-016-1735-5openalex-snapshot
First example of stepwise, zwitterionic mechanism for bicyclo[2.2.1]hept-5-ene (norbornene) formation process catalyzed by the 1-butyl-3-methylimidazolium cations
inferred← citeshttps://doi.org/10.1007/s00706-016-1893-5openalex-snapshot
Unexpected course of reaction between (E)-2-aryl-1-cyano-1-nitroethenes and diazafluorene: why is there no 1,3-dipolar cycloaddition?
inferred← citeshttps://doi.org/10.1007/s00894-014-2207-7openalex-snapshot
Understanding the high reactivity of triazolinediones in Diels-Alder reactions. A DFT study
inferred← citeshttps://doi.org/10.1007/s00894-015-2658-5openalex-snapshot
Understanding the role of the trifluoromethyl group in reactivity and regioselectivity in [3+2] cycloaddition reactions of enol acetates with nitrones. A DFT study
inferred← citeshttps://doi.org/10.1007/s00894-016-3185-8openalex-snapshot
A DFT computational study of the molecular mechanism of [3 + 2] cycloaddition reactions between nitroethene and benzonitrile N-oxides
inferred← citeshttps://doi.org/10.1007/s00894-019-4063-yopenalex-snapshot
Why are rhodanines less efficient reagents in Diels–Alder reactions than isorhodanines? A quantum chemical study
inferred← citeshttps://doi.org/10.1007/s00894-020-04657-1openalex-snapshot
Theoretical mechanistic study on the reaction of the methoxymethyl radical with nitrogen dioxide
inferred← citeshttps://doi.org/10.1007/s00894-021-04901-2openalex-snapshot
An integrated molecular modeling protocol for drug screening based on conceptual density functional theory and chemoinformatics for the study of marine cyclopeptides
inferred← citeshttps://doi.org/10.1007/s00894-022-05086-yopenalex-snapshot
Effect of hydrogen bonds and CF3 group on the regioselectivity and mechanism of [3 + 2] cycloaddition reactions between nitrile oxide and 2,4-disubstituted cyclopentenes. A MEDT study
inferred← citeshttps://doi.org/10.1007/s00894-022-05176-xopenalex-snapshot
An insight into reactivity and bioactivity properties of quorum sensing peptides against PDE10A: a computational peptidology approach
inferred← citeshttps://doi.org/10.1007/s00894-024-06074-0openalex-snapshot
A quantum mechanistic investigation into the unusual reactions of nitrilimine and nitrile oxide with 2,3,4,5-tetraphenylcyclopentadienone
inferred← citeshttps://doi.org/10.1007/s00894-026-06829-xopenalex-snapshot
Polarity‑controlled Lewis acid catalysis in the Diels–Alder reaction of cyclopentadiene and acrolein: a DFT and global electron density transfer (GEDT) analysis of BF3 and AlCl3
inferred← citeshttps://doi.org/10.1007/s10570-020-03258-8openalex-snapshot
Cooperative interaction of sodium and chlorine ions with β-cellobiose in aqueous solution from quantum mechanics and molecular dynamics
inferred← citeshttps://doi.org/10.1007/s10593-013-1362-6openalex-snapshot
Conjugated nitroalkenes in cycloaddition reactions 18*. Regio- and stereoselectivity of (2+3) cycloaddition reactions between gem-chloronitroethene and (Z)-C,N-diarylnitrones
inferred← citeshttps://doi.org/10.1007/s10593-020-02694-5openalex-snapshot
α-Functionalized ketene N,S-acetals as two-carbon synthons in the reaction with 1,2-naphthoquinone 1-methide. Synthesis of 3-amino-1H-benzo[f]chromenes
inferred← citeshttps://doi.org/10.1007/s10593-022-03081-yopenalex-snapshot
Stepwise, zwitterionic course of hetero-Diels–Alder reaction between 1,2,4-triazine molecular systems and 2-cyclopropylidene-1,3-dimethylimidazoline
inferred← citeshttps://doi.org/10.1007/s10593-023-03177-zopenalex-snapshot
Investigation of the solvent effect, regioselectivity, and the mechanism of the cycloaddition reaction between 2-chlorobenzimidazole and benzonitrile oxide
inferred← citeshttps://doi.org/10.1007/s10593-023-03179-xopenalex-snapshot
A molecular electron density theory study of mechanism and selectivity of the intramolecular [3+2] cycloaddition reaction of a nitrone–vinylphosphonate adduct
inferred← citeshttps://doi.org/10.1007/s10593-023-03180-4openalex-snapshot
On the question of selective protocol for the preparation of juglone via (4+2) cycloaddition involving 3-hydroxypyridazine: DFT mechanistic study
inferred← citeshttps://doi.org/10.1007/s10593-025-03385-9openalex-snapshot
Elucidating chemoselectivity and unraveling the mechanism of 1,3-dipolar cycloaddition between diphenyl nitrilimine and (isoxazol-3-yl)methylbenzimidazole through molecular electron density theory
inferred← citeshttps://doi.org/10.1007/s10593-025-03387-7openalex-snapshot
Selectivity and molecular mechanism of the Au(III)-catalyzed [3+2] cycloaddition reaction between (Z)-C,N-diphenylnitrone and nitroethene in the light of the molecular electron density theory computational study
inferred← citeshttps://doi.org/10.1007/s10876-022-02344-0openalex-snapshot
Ethanol Conversion to Butanol over Small Coinage Metal Clusters: An Experimental and Computational Study
inferred← citeshttps://doi.org/10.1007/s11144-014-0753-8openalex-snapshot
An experimental and theoretical study of the hetero Diels–Alder reactions between (E)-2-aryl-1-cyano-1-nitroethenes and ethyl vinyl ether: one-step or zwitterionic, two-step mechanism?
inferred← citeshttps://doi.org/10.1007/s11144-015-0913-5openalex-snapshot
Kinetics of Diels–Alder reactions between 1,3-cyclopentadiene and isoprene
inferred← citeshttps://doi.org/10.1007/s11144-025-02869-1openalex-snapshot
Computational model of the formation of novel nitronorbornene analogs via Diels–Alder process
inferred← citeshttps://doi.org/10.1007/s11224-011-9785-0openalex-snapshot
Theoretical study on the gas-phase reaction mechanism between rhodium monoxide cation and methane
inferred← citeshttps://doi.org/10.1007/s11224-011-9803-2openalex-snapshot
Catalytic effect of molecular iodine in Diels–Alder reaction: a density functional theory study
inferred← citeshttps://doi.org/10.1007/s11224-013-0339-5openalex-snapshot
Diels–Alder reaction of β-chloro-α,β-unsaturated aldehydes with cyclopentadiene: an experimental and theoretical study
inferred← citeshttps://doi.org/10.1007/s11224-015-0703-8openalex-snapshot
Density functional theory study of the regio‐ and stereoselectivity of 1,3-dipolar cycloaddition reactions between 2-ethylthio-4-phenyl-1-azetin and some substituted nitrile oxides
inferred← citeshttps://doi.org/10.1007/s11224-018-1138-9openalex-snapshot
A theoretical investigation on the mechanism of cycloaddition reactions of fulvenes with tetrazine and diazacyclopentadienone derivatives
inferred← citeshttps://doi.org/10.1007/s11224-019-01389-8openalex-snapshot
Theoretical understanding mechanisms and stereoselectivities of [2+2] cycloaddition of ketenes with ketimines catalyzed by bifunctional N-heterocyclic carbene
inferred← citeshttps://doi.org/10.1007/s11224-020-01572-2openalex-snapshot
Regio- and stereochemistry in the aza-Diels–Alder reaction of an azoalkene with furan and 2,3-dihydrofuran: a molecular electron density theory study
inferred← citeshttps://doi.org/10.1007/s11224-020-01662-1openalex-snapshot
A molecular electron density theory study of polar Diels-Alder reaction between 2,4–dimethyl–5–ethoxyoxazole and ethyl 4,4,4–trifluorocrotonate
inferred← citeshttps://doi.org/10.1007/s11224-023-02201-4openalex-snapshot
A DFT study on the Sc(OTf)3 catalyzed hetero Diels–Alder reaction of N-tosylhydrazones and ortho-quinone methides: energetic aspects, selectivities, and molecular mechanism
inferred← citeshttps://doi.org/10.1007/s11224-025-02464-zopenalex-snapshot
Reactivity, mechanism, and origin of selectivity of the [3 + 2] cycloaddition between cyclic 3,4-dihydroisoquinoline-N-oxide and N-vinylpyrrole: a computational MEDT investigation
inferred← citeshttps://doi.org/10.1007/s11224-026-02800-xopenalex-snapshot
Theoretical insights into the mechanism of Lewis acid-catalysed Diels-Alder reaction between hydroxy-ester dienophile and isoprene: origin of regio- and stereoselectivity
inferred← citeshttps://doi.org/10.1007/s11243-023-00537-8openalex-snapshot
Probing the interaction of Ti clusters with isopropanol for ether production: an experimental and computational study
inferred← citeshttps://doi.org/10.1007/s12039-016-1138-5openalex-snapshot
A conceptual DFT approach towards analysing feasibility of the intramolecular cycloaddition Diels-Alder reaction of triene amide in Lewis acid catalyst
inferred← citeshttps://doi.org/10.1007/s12039-018-1459-7openalex-snapshot
An investigation of molecular mechanism and the role of Te-bridged-atom in the formation of polysubstituted pyridines via Hetero-Diels–Alder reaction of isotellurazole with acetylenic dienophile: a molecular electron density study
inferred← citeshttps://doi.org/10.1007/s12039-021-01983-6openalex-snapshot
Nucleophilicity and CO2 fixation ability of phosphorus, nitrogen and sulfur ylides: insights on stereoelectronic factors from DFT study
inferred← citeshttps://doi.org/10.1007/s41061-025-00501-3openalex-snapshot
Recent Advances in the Mitsunobu and Related Reactions: A Review from 2010 to 2024
inferred← citeshttps://doi.org/10.1007/s42250-026-01830-6openalex-snapshot
Investigating Diels–Alder Reactions of Disubstituted Furans with Ethylene via Density Functional Theory: Uncatalyzed and Lewis Acid-catalyzed Pathways
inferred← citeshttps://doi.org/10.1007/s44371-025-00422-6openalex-snapshot
Design, synthesis, and reactivity study of (3-(4-bromophenyl)isoxazole-5-yl)methanol with isobutyric acid
inferred← citeshttps://doi.org/10.1016/b978-0-12-802508-6.00009-0openalex-snapshot
Diels-Alderase Catalyzing the Cyclization Step in the Biosynthesis of Spinosyn A
inferred← citeshttps://doi.org/10.1016/b978-0-12-812823-7.00314-1openalex-snapshot
Solutions 51 – 100
inferred← citeshttps://doi.org/10.1016/b978-0-32-390257-1.00023-1openalex-snapshot
New insights from a bonding evolution theory based on the topological analysis of the electron localization function
inferred← citeshttps://doi.org/10.1016/j.carres.2015.07.017openalex-snapshot
Understanding reactivity and regioselectivity in Diels–Alder reactions of a sugar-derived dienophile bearing two competing EWGs. An experimental and computational study
inferred← citeshttps://doi.org/10.1016/j.cattod.2017.05.042openalex-snapshot
Theoretical study on the mechanism and selectivity of asymmetric cycloaddition reactions of 3-vinylindole catalyzed by chiral N,N'-dioxide-Ni(II) complex
inferred← citeshttps://doi.org/10.1016/j.cclet.2024.109880openalex-snapshot
Three-step synthesis of flavanostilbenes with a 2-cyclohepten-1-one core by Cu-mediated [5 + 2] cycloaddition/decarboxylation cascade
inferred← citeshttps://doi.org/10.1016/j.compbiolchem.2018.05.017openalex-snapshot
Antioxidant activity of selenenamide-based mimic as a function of the aromatic thiols nucleophilicity, a DFT-SAPE model
inferred← citeshttps://doi.org/10.1016/j.comptc.2013.06.042openalex-snapshot
A detailed study on thiocarbonyl ene reactions
inferred← citeshttps://doi.org/10.1016/j.comptc.2013.12.022openalex-snapshot
A DFT study of the domino reactions between imidazole NHC, ketenimines and DMAD or MP acetylene derivatives yielding spiro-pyrroles
inferred← citeshttps://doi.org/10.1016/j.comptc.2014.08.002openalex-snapshot
Searching for zwitterionic intermediates in Hetero Diels–Alder reactions between methyl α,p-dinitrocinnamate and vinyl-alkyl ethers
inferred← citeshttps://doi.org/10.1016/j.comptc.2015.08.024openalex-snapshot
Understanding the participation of 3-nitropyridine in polar Diels–Alder reactions. A DFT study
inferred← citeshttps://doi.org/10.1016/j.comptc.2017.09.010openalex-snapshot
A computational mechanistic study on the chemo-, regio- and stereoselectivity of cycloaddition reactions leading to γ-dihydropyran and tetrahydrocarbazol compounds
inferred← citeshttps://doi.org/10.1016/j.comptc.2018.01.009openalex-snapshot
Competition between one-step and two-step mechanism in polar [3 + 2] cycloadditions of (Z)-C-(3,4,5-trimethoxyphenyl)-N-methyl-nitrone with (Z)-2-EWG-1-bromo-1-nitroethenes
inferred← citeshttps://doi.org/10.1016/j.comptc.2018.08.005openalex-snapshot
A molecular electron density theory study of the asymmetric hetero-Diels-Alder cycloaddition reaction between ferrocenyl-substituted thiabutadiene and methyl propiolate
inferred← citeshttps://doi.org/10.1016/j.comptc.2019.03.007openalex-snapshot
Solvent effect on Hetero-Diels-Alder reaction of isoselenazole with symmetrical acetylenic dienophiles: A MEDT study
inferred← citeshttps://doi.org/10.1016/j.comptc.2021.113161openalex-snapshot
Computational studies on the Carboni-Lindsey reaction
inferred← citeshttps://doi.org/10.1016/j.comptc.2022.113643openalex-snapshot
Mechanistic details of domino [3+2] cycloaddition/[3,3] sigmatropic shift reactions of N-vinyl nitrones with isocyanates
inferred← citeshttps://doi.org/10.1016/j.comptc.2022.113790openalex-snapshot
Catalyst-free [3 + 2] cycloaddition reaction of oxa-, aza-, and thio-bicyclic alkenes with cyclic and acyclic nitrones: A mechanistic study
inferred← citeshttps://doi.org/10.1016/j.comptc.2022.113817openalex-snapshot
Mechanistic aspects of the Diels-Alder reaction between (E)-N-benzylidene-2,2-difluoro-1-phenylethenamine and 2-vinyl pyridine: A molecular electron density theory study
inferred← citeshttps://doi.org/10.1016/j.comptc.2022.113870openalex-snapshot
A computational mechanistic study of the hydrolytic degradation of three common pyrethroid insecticides
inferred← citeshttps://doi.org/10.1016/j.comptc.2023.114310openalex-snapshot
Toward metal- and catalyst-free Reactions: Deciphering the substituent and external electric field effects on the Diels-Alder reaction between ethylene and nitrosoethylene
inferred← citeshttps://doi.org/10.1016/j.comptc.2024.114511openalex-snapshot
A new investigation into the regioselectivity and stereoselectivity of the reaction between di-methyl nitrone and fluorinated alkenes: DFT, independent gradient model, and molecular docking
inferred← citeshttps://doi.org/10.1016/j.comptc.2024.114665openalex-snapshot
Revealing the mechanism, Regio- and stereo selectivity and solvent effects of [3 + 2] cycloaddition reactions involving N-benzyl fluoro nitrone and electron-deficient alkynes
inferred← citeshttps://doi.org/10.1016/j.comptc.2025.115093openalex-snapshot
Deciphering the mechanism and selectivities of the reactions of mesitonitrile oxide with 1,5-Dimethyl-6-methylenetricyclo[3.2.1.02,7]oct-3-en-8-one Derivatives: A computational approach
inferred← citeshttps://doi.org/10.1016/j.cplett.2010.09.068openalex-snapshot
Invariance of electrophilicity of independent fragments. Application to intramolecular Diels–Alder reactions
inferred← citeshttps://doi.org/10.1016/j.cplett.2013.07.020openalex-snapshot
On the nature of Parr functions to predict the most reactive sites along organic polar reactions
inferred← citeshttps://doi.org/10.1016/j.cplett.2017.03.063openalex-snapshot
A computational study of the Diels-Alder reactions between 2,3-dibromo-1,3-butadiene and maleic anhydride
inferred← citeshttps://doi.org/10.1016/j.cplett.2019.03.011openalex-snapshot
Methyl methacrylate reactivity under electric field in view of an electrically induced polymerization process
inferred← citeshttps://doi.org/10.1016/j.cplett.2019.137021openalex-snapshot
A fast and simple evaluation of the chemical reactivity properties of the Pristinamycin family of antimicrobial peptides
inferred← citeshttps://doi.org/10.1016/j.cplett.2020.137743openalex-snapshot
Density functional study of the effect of cation exchanged Sn-Beta zeolite for the diels-alder reaction between furan and methyl acrylate
inferred← citeshttps://doi.org/10.1016/j.crci.2016.09.002openalex-snapshot
A density functional theory study on the reaction mechanism of hydrazones with α-oxo-ketenes: Comparison between stepwise 1,3-dipolar cycloaddition and Diels–Alder pathways
inferred← citeshttps://doi.org/10.1016/j.energy.2017.12.149openalex-snapshot
Understanding the thermodynamic and kinetic performances of the substituted phosphorus ylides as a new class of compounds in carbon dioxide activation
inferred← citeshttps://doi.org/10.1016/j.heliyon.2021.e06113openalex-snapshot
An experimental and mechanism study on the regioselective click reaction toward the synthesis of thiazolidinone-triazole
inferred← citeshttps://doi.org/10.1016/j.ica.2020.119758openalex-snapshot
Why [2 + 2]-cycloaddition reactions between isocyanates and imines do not occur in Pd-activation conditions?
inferred← citeshttps://doi.org/10.1016/j.jcat.2018.06.005openalex-snapshot
Mechanistic investigations on asymmetric N-H insertion of amines catalyzed by palladium-chiral guanidine complex
inferred← citeshttps://doi.org/10.1016/j.jclepro.2021.126079openalex-snapshot
Green synthesis of nitrocyclopropane-type precursors of inhibitors for the maturation of fruits and vegetables via domino reactions of diazoalkanes with 2-nitroprop-1-ene
inferred← citeshttps://doi.org/10.1016/j.jclepro.2022.131878openalex-snapshot
Green, one-pot synthesis of 1,2-oxazine-type herbicides via non-catalyzed Hetero Diels-Alder reactions comprising (2E)-3-aryl-2-nitroprop-2-enenitriles
inferred← citeshttps://doi.org/10.1016/j.jfluchem.2015.04.020openalex-snapshot
On the question of zwitterionic intermediates in 1,3-dipolar cycloadditions between hexafluoroacetone and sterically crowded diazocompounds
inferred← citeshttps://doi.org/10.1016/j.jfluchem.2017.12.008openalex-snapshot
β-Trifluoromethylated nitroethenes in Diels-Alder reaction with cyclopentadiene: A DFT computational study
inferred← citeshttps://doi.org/10.1016/j.jmgm.2014.08.003openalex-snapshot
Mechanism and regioselectivity of the reversible Diels–Alder cycloaddition of 2-methyl-1,3 butadiene with C48B6N6 heterofullerene: A DFT approach
inferred← citeshttps://doi.org/10.1016/j.jmgm.2016.10.009openalex-snapshot
A DFT study of [3 + 2] cycloaddition reactions of an azomethine imine with N-vinyl pyrrole and N-vinyl tetrahydroindole
inferred← citeshttps://doi.org/10.1016/j.jmgm.2019.06.005openalex-snapshot
Is the pericyclic transition structure of aza-Diels-Alder reaction aromatic?
inferred← citeshttps://doi.org/10.1016/j.jmgm.2019.107461openalex-snapshot
A new insight on the molecular mechanism of the reaction between (Z)-C,N-diphenylnitrone and 1,2-bismethylene-3,3,4,4,5,5-hexamethylcyclopentane
inferred← citeshttps://doi.org/10.1016/j.jmgm.2022.108326openalex-snapshot
Energetics and electronics of polar Diels–Alder reactions at the atomic level: QTAIM and IQA analyses of complete IRC paths
inferred← citeshttps://doi.org/10.1016/j.jmgm.2023.108421openalex-snapshot
Quantum Mechanical Elucidation on [3+2] cycloaddition reaction of aryl nitrile oxide with cyclopentenones
inferred← citeshttps://doi.org/10.1016/j.jmgm.2024.108819openalex-snapshot
Insights into the mechanism, selectivity, and substituent effects in the Diels-Alder reaction of azatrienes with electron-rich dienophiles: An MEDT study
inferred← citeshttps://doi.org/10.1016/j.jscs.2014.02.003openalex-snapshot
Computational study of the molecular hydrogen physisorption in some of the corannulene derivatives as a carbon nanostructure
inferred← citeshttps://doi.org/10.1016/j.jwpe.2019.01.018openalex-snapshot
Thermally regenerable multi-functional membrane for heavy-metal detection and removal
inferred← citeshttps://doi.org/10.1016/j.mcat.2018.04.025openalex-snapshot
Theoretical Investigation on Direct Vinylogous Aldol Reaction of Isatin Catalyzed by Chiral- N , N' -dioxide Sc(III) Complex
inferred← citeshttps://doi.org/10.1016/j.mcat.2020.111242openalex-snapshot
Selectivity control in inverse electron demand Diels–Alder reaction of o-Quinone methides catalyzed by chiral N,N′-Dioxide–Sc(III) complex
inferred← citeshttps://doi.org/10.1016/j.mcat.2022.112277openalex-snapshot
Origin of enantioselectivity and product-distribution control in isocyanide-based multicomponent reaction catalysed by chiral N, N'-dioxide-Mg(II) complex
inferred← citeshttps://doi.org/10.1016/j.memsci.2015.05.007openalex-snapshot
Regenerable anti-fouling active PTFE membrane with thermo-reversible “peel-and-stick” hydrophilic layer
inferred← citeshttps://doi.org/10.1016/j.memsci.2020.117955openalex-snapshot
A regenerable antifouling membrane bearing a photoresponsive crosslinked polyethylenimine layer
inferred← citeshttps://doi.org/10.1016/j.mencom.2011.09.010openalex-snapshot
A DFT study on the regioselectivity and molecular mechanism of nitroethene [2 + 3] cycloaddition to (Z)-C,N-diphenylnitrone and C,C,N-triphenylnitrone
inferred← citeshttps://doi.org/10.1016/j.molcata.2010.11.004openalex-snapshot
A DFT study on enantioselective synthesis of aza-β-lactams via NHC-catalyzed [2+2] cycloaddition of ketenes with diazenedicarboxylates
inferred← citeshttps://doi.org/10.1016/j.molstruc.2011.11.050openalex-snapshot
Diels–Alder reactions for the rational design of benzo[b]thiophenes: DFT-based guidelines for synthetic chemists
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