On the public citation graph
Enhancing Reactivity of Carbonyl Compounds via Hydrogen-Bond Formation. A DFT Study of the Hetero-Diels−Alder Reaction between Butadiene Derivative and Acetone in Chloroform
0 signed · 145 inferred · view as graph
Inferred edges come from two machine sources: sweeps of open repository metadata (mostly SSRN and Zenodo), and a bulk OpenAlex citation snapshot. Every row below is labelled with the one it came from. Neither is a complete citation index — absence here is not evidence of absence.
Is this your work? Sign in with ORCID and put your name on the
claims that are yours.
Reference health. See whether every reference in this work resolves to a
known work and none has been retracted — and get a dated CiteStamped
badge you can embed.
What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
inferredcites →https://doi.org/10.1002/(sici)1096-987x(199803)19:4<404::aid-jcc3>3.0.co;2-wopenalex-snapshot
Geometry optimization of molecular structures in solution by the polarizable continuum model
inferredcites →https://doi.org/10.1002/1521-3765(20020802)8:15<3423::aid-chem3423>3.0.co;2-xopenalex-snapshot
The Origin of endo Stereoselectivity in the Hetero-Diels–Alder Reactions of Aldehydes with ortho-Xylylenes: CH–π, π–π, and Steric Effects on Stereoselectivity
inferredcites →https://doi.org/10.1002/anie.198913711openalex-snapshot
Mechanism of the Hetero‐Diels–Alder Reaction of Oxadienes and Alkenes: Calculation of the Acrolein/Ethene System
inferredcites →https://doi.org/10.1002/jcc.540030212openalex-snapshot
Optimization of equilibrium geometries and transition structures
inferredcites →https://doi.org/10.1007/bfb0119240openalex-snapshot
Hetero Diels-Alder reactions in organic chemistry
inferredcites →https://doi.org/10.1016/0009-2614(96)00349-1openalex-snapshot
Ab initio study of solvated molecules: a new implementation of the polarizable continuum model
inferredcites →https://doi.org/10.1016/0040-4020(68)88057-3openalex-snapshot
Application of the pople-santry-segal CNDO method to the cyclopropylcarbinyl and cyclobutyl cation and to bicyclobutane
inferredcites →https://doi.org/10.1016/0306-4549(89)90016-9openalex-snapshot
Density-functional theory of atoms and molecules
inferredcites →https://doi.org/10.1016/c2009-0-21747-8openalex-snapshot
Hetero Diels—Alder Methodology in Organic Synthesis
inferredcites →https://doi.org/10.1016/s0009-2614(99)00325-5openalex-snapshot
A direct evaluation of regional Fukui functions in molecules
inferredcites →https://doi.org/10.1016/s0040-4020(01)91252-9openalex-snapshot
Reactions of ketene acetals 15. Regiospecific syntheses of erythrolaccin and “7-hydroxyerythrolaccin”.
inferredcites →https://doi.org/10.1016/s0040-4020(02)00326-5openalex-snapshot
A density functional theory study for the Diels–Alder reaction between N-acyl-1-aza-1,3-butadienes and vinylamines. Lewis acid catalyst and solvent effects
inferredcites →https://doi.org/10.1016/s0040-4020(02)00410-6openalex-snapshot
Quantitative characterization of the global electrophilicity power of common diene/dienophile pairs in Diels–Alder reactions
inferredcites →https://doi.org/10.1016/s0040-4039(01)80210-0openalex-snapshot
Thermal addition reactions to benzocyclobutenones studied by flash photolysis
inferredcites →https://doi.org/10.1016/s0065-2725(08)60645-5openalex-snapshot
The Synthesis of Natural Heterocyclic Products by Hetero Diels-Alder Cycloaddition Reactions
inferredcites →https://doi.org/10.1016/s0166-1280(09)80069-9openalex-snapshot
Density functional studies of representative pericyclic reactions
inferredcites →https://doi.org/10.1021/ar00128a004openalex-snapshot
Hetero-Diels-Alder reaction in highly functionalized natural product synthesis
inferredcites →https://doi.org/10.1021/cr00018a006openalex-snapshot
Acceleration and selectivity enhancement of Diels-Alder reactions by special and catalytic methods
inferredcites →https://doi.org/10.1021/cr00031a013openalex-snapshot
Molecular Interactions in Solution: An Overview of Methods Based on Continuous Distributions of the Solvent
inferredcites →https://doi.org/10.1021/cr00088a005openalex-snapshot
Intermolecular interactions from a natural bond orbital, donor-acceptor viewpoint
inferredcites →https://doi.org/10.1021/cr990410+openalex-snapshot
Salt Effects on Diels−Alder Reaction Kinetics
inferredcites →https://doi.org/10.1021/j100377a021openalex-snapshot
Reaction path following in mass-weighted internal coordinates
inferredcites →https://doi.org/10.1021/j100717a029openalex-snapshot
Formulation of the reaction coordinate
inferredcites →https://doi.org/10.1021/ja00030a066openalex-snapshot
exo-Lone-pair effect on hetero-Diels-Alder cycloaddition stereochemistry
inferredcites →https://doi.org/10.1021/ja0010249openalex-snapshot
Density Functional Theory Study of Aqueous-Phase Rate Acceleration and Endo/Exo Selectivity of the Butadiene and Acrolein Diels−Alder Reaction
inferredcites →https://doi.org/10.1021/ja00326a036openalex-snapshot
Density functional approach to the frontier-electron theory of chemical reactivity
inferredcites →https://doi.org/10.1021/ja00327a054openalex-snapshot
High threo diastereoselectivity via europium(III)-catalyzed cyclocondensation of a silyloxy diene with .alpha.-alkoxy aldehydes. Synthesis of (-)pestalotin
inferredcites →https://doi.org/10.1021/ja00364a005openalex-snapshot
Absolute hardness: companion parameter to absolute electronegativity
inferredcites →https://doi.org/10.1021/ja0267627openalex-snapshot
Hydrogen-Bond-Promoted Hetero-Diels−Alder Reactions of Unactivated Ketones
inferredcites →https://doi.org/10.1021/ja9601494openalex-snapshot
Density Functional Theory Prediction of the Relative Energies and Isotope Effects for the Concerted and Stepwise Mechanisms of the Diels−Alder Reaction of Butadiene and Ethylene
inferredcites →https://doi.org/10.1021/jo00064a020openalex-snapshot
Hetero-Diels-Alder reaction transition structures: reactivity, stereoselectivity, catalysis, solvent effects, and the exo-lone-pair effect
inferredcites →https://doi.org/10.1021/jo00083a021openalex-snapshot
Enhanced Hydrogen Bonding of Water to Diels-Alder Transition States. Ab Initio Evidence
inferredcites →https://doi.org/10.1021/jo00221a002openalex-snapshot
High-pressure approach to the total synthesis of (.+-.)-ambreinolide and (.+-.)-8-epiambreinolide
inferredcites →https://doi.org/10.1021/jo00377a006openalex-snapshot
A general approach to the synthesis of C8-oxygenated guaianolides
inferredcites →https://doi.org/10.1021/jo020564gopenalex-snapshot
Studies on the Biosynthesis of Paraherquamide A and VM99955. A Theoretical Study of Intramolecular Diels−Alder Cycloaddition
inferredcites →https://doi.org/10.1021/jo990331yopenalex-snapshot
Influence of Reactant Polarity on the Course of the Inverse-Electron-Demand Diels−Alder Reaction. A DFT Study of Regio- and Stereoselectivity, Presence of Lewis Acid Catalyst, and Inclusion of Solvent Effects in the Reaction between Nitroethene and Substituted Ethenes
inferredcites →https://doi.org/10.1021/jp020326popenalex-snapshot
QM/MM Simulations for Diels−Alder Reactions in Water: Contribution of Enhanced Hydrogen Bonding at the Transition State to the Solvent Effect
inferredcites →https://doi.org/10.1021/jp020715jopenalex-snapshot
Quantitative Characterization of the Local Electrophilicity of Organic Molecules. Understanding the Regioselectivity on Diels−Alder Reactions
inferredcites →https://doi.org/10.1021/jp960976ropenalex-snapshot
Harmonic Vibrational Frequencies: An Evaluation of Hartree−Fock, Møller−Plesset, Quadratic Configuration Interaction, Density Functional Theory, and Semiempirical Scale Factors
inferredcites →https://doi.org/10.1021/jp9717610openalex-snapshot
Quantum Mechanical Methods and the Interpretation and Prediction of Pericyclic Reaction Mechanisms
inferredcites →https://doi.org/10.1021/ol006404dopenalex-snapshot
Hetero Diels−Alder Reactions of 1-Amino-3-siloxy-1,3-butadienes under Strictly Thermal Conditions
inferredcites →https://doi.org/10.1039/a701882gopenalex-snapshot
Zinc(II)-catalysed asymmetric hetero-Diels–Alder reactions of conjugated dienes with glyoxylate
inferredcites →https://doi.org/10.1039/a900420copenalex-snapshot
Density functional theory studies of hetero-Diels–Alder reactions
inferredcites →https://doi.org/10.1039/p19840002345openalex-snapshot
Reaction of 3-hydroxycholesta-4,6-dienes with m-chloroperbenzoic acid
inferredcites →https://doi.org/10.1063/1.461606openalex-snapshot
Improved algorithms for reaction path following: Higher-order implicit algorithms
inferredcites →https://doi.org/10.1063/1.466956openalex-snapshot
Density functional transition states of organic and organometallic reactions
inferredcites →https://doi.org/10.1063/1.474659openalex-snapshot
A new integral equation formalism for the polarizable continuum model: Theoretical background and applications to isotropic and anisotropic dielectrics
inferredcites →https://doi.org/10.1080/00397919408011317openalex-snapshot
A Convenient Synthesis of 3,4-bis(Trimethylsilylmethyl)-5,6-dihydro-2H-pyrans Through a Catalyzed Hetero Diels-Alder Reaction
inferredcites →https://doi.org/10.1080/00397919608003573openalex-snapshot
A Novel Synthesis of 1-IsochromanolsviaHetero Diels-Alder Reaction of Carbonyl Compounds with 1-Trimethylsilyloxy-benzocyclobutene as a Precursor of α-Oxy-o-Quinodimethane Under Mild Condition
inferredcites →https://doi.org/10.1103/physrevb.37.785openalex-snapshot
Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density
inferredcites →https://doi.org/10.1142/9789812832115openalex-snapshot
Modern Electronic Structure Theory
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
inferred← citeshttps://doi.org/10.2139/ssrn.4690931openalex-extracted
A Molecular Electron Density Theory Study of Hydrogen Bond Catalysed Polar Diels–Alder Reactions of a , B -Unsaturated Carbonyl Compounds
inferred← citeshttps://doi.org/10.1002/9783527627844.ch2openalex-snapshot
Hydrogen‐Bond Catalysis or Brønsted‐Acid Catalysis? General Considerations
inferred← citeshttps://doi.org/10.1002/9783527829941.ch24openalex-snapshot
Application of Reactivity Indices in the Study of Polar D iels– A lder Reactions
inferred← citeshttps://doi.org/10.1002/adsc.200600431openalex-snapshot
Conceptual, Qualitative, and Quantitative Theories of 1,3‐Dipolar and Diels–Alder Cycloadditions Used in Synthesis
inferred← citeshttps://doi.org/10.1002/ange.200400650openalex-snapshot
Im Goldenen Zeitalter der Organokatalyse
inferred← citeshttps://doi.org/10.1002/anie.200400650openalex-snapshot
In the Golden Age of Organocatalysis
inferred← citeshttps://doi.org/10.1002/chem.200700303openalex-snapshot
Computational Investigations on the General Reaction Profile and Diastereoselectivity in Sulfur Ylide Promoted Aziridination
inferred← citeshttps://doi.org/10.1002/chem.200800346openalex-snapshot
Monomer versus Alcohol Activation in the 4‐Dimethylaminopyridine‐Catalyzed Ring‐Opening Polymerization of Lactide and Lactic O‐Carboxylic Anhydride
inferred← citeshttps://doi.org/10.1002/chem.200800877openalex-snapshot
The Role of Noninnocent Solvent Molecules in Organocatalyzed Asymmetric Michael Addition Reactions
inferred← citeshttps://doi.org/10.1002/chem.200902488openalex-snapshot
Theoretical Investigations on the Mechanism of Hetero‐Diels–Alder Reactions of Brassard’s Diene and 1, 3‐Butadiene Catalyzed by a Tridentate Schiff Base Titanium(IV) Complex
inferred← citeshttps://doi.org/10.1002/cphc.200900848openalex-snapshot
Oriented Electric Fields Accelerate Diels–Alder Reactions and Control the endo/exo Selectivity
inferred← citeshttps://doi.org/10.1002/ejoc.200300766openalex-snapshot
Hetero‐Diels−Alder Reactions of Ketones — A Challenge for Chemists
inferred← citeshttps://doi.org/10.1002/ejoc.200400522openalex-snapshot
Why do Electron‐Deficient Dienes React Rapidly in Diels−Alder Reactions with Electron‐Deficient Ethylenes? A Density Functional Theory Analysis
inferred← citeshttps://doi.org/10.1002/ejoc.200500978openalex-snapshot
Towards an Understanding of the Polar Diels–Alder Reactions of Nitrosoalkenes with Enamines: A Theoretical Study
inferred← citeshttps://doi.org/10.1002/ejoc.201000184openalex-snapshot
Theoretical Study on Hetero‐Diels–Alder Reaction of Butadiene with Benzaldehyde Catalyzed by Chiral InIII Complexes
inferred← citeshttps://doi.org/10.1002/ejoc.201500447openalex-snapshot
Mechanism Switch in Mannich‐Type Reactions: ELF and NCI Topological Analyses of the Reaction between Nitrones and Lithium Enolates
inferred← citeshttps://doi.org/10.1002/jcc.23085openalex-snapshot
Electronic fluxes during diels‐alder reactions involving 1,2‐benzoquinones: mechanistic insights from the analysis of electron localization function and catastrophe theory
inferred← citeshttps://doi.org/10.1002/jhet.4952openalex-snapshot
Cu( OTf )2 Catalyzed the Reaction of Donor‐Acceptor Cyclopropanes With Salicylaldehyde Phenylhydrazones: Synthesis Polycyclic Tetrahydropyridazines
inferred← citeshttps://doi.org/10.1002/poc.1858openalex-snapshot
Understanding the kinetic solvent effects on the 1,3‐dipolar cycloaddition of benzonitrile N‐oxide: a DFT study
inferred← citeshttps://doi.org/10.1002/poc.4556openalex-snapshot
Solvent effects on the sodium borohydride reduction of 2‐halocyclohexanones
inferred← citeshttps://doi.org/10.1002/poc.4612openalex-snapshot
Addition reaction of azoles to acetone‐ d 6 : NMR and computational studies
inferred← citeshttps://doi.org/10.1002/qua.21331openalex-snapshot
Theoretical study on the Diels–Alder reaction of cyclopentadiene with methacrolein catalyzed by diethylimidazolium cation
inferred← citeshttps://doi.org/10.1002/qua.23232openalex-snapshot
Density functional theory study of the regio‐ and stereoselectivity of diels–alder reactions of 5‐Aryl‐2‐pyrones
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.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/10.1007/978-3-031-39470-6_2openalex-snapshot
A Generalized Force-Modified Potential Energy Surface (G-FMPES) for Mechanochemical Simulations
inferred← citeshttps://doi.org/10.1007/s12039-017-1332-0openalex-snapshot
Regioselectivity in the hetero-Diels–Alder reactions of styrenes with 2-aza-1,3-butadiene: a DFT study
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.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.jmgm.2015.05.006openalex-snapshot
Understanding the molecular mechanism and regioselectivity in the synthesis of celecoxib via a domino reaction: A DFT study
inferred← citeshttps://doi.org/10.1016/j.jmgm.2017.02.017openalex-snapshot
Computational study of the 1,3-dipolar cycloaddition between methyl 2-trifluorobutynoate and substituted azides in terms of reactivity indices and activation parameters
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.2012.04.013openalex-snapshot
Experimental and theoretical approaches to [1,5]-prototropic generation of an azomethine ylide and a 1,3-dipolar cycloaddition for novel spiropyrrolidine oxindoles synthesis
inferred← citeshttps://doi.org/10.1016/j.tchem.2024.100064openalex-snapshot
A molecular electron density theory study of hydrogen bond catalysed polar Diels–Alder reactions of α,β-unsaturated carbonyl compounds
inferred← citeshttps://doi.org/10.1016/j.tet.2004.09.057openalex-snapshot
A theoretical study on the regioselectivity of 1,3-dipolar cycloadditions using DFT-based reactivity indexes
inferred← citeshttps://doi.org/10.1016/j.tet.2005.05.080openalex-snapshot
A DFT study of the polar Diels–Alder reaction between 4-aza-6-nitrobenzofuroxan and cyclopentadiene
inferred← citeshttps://doi.org/10.1016/j.tet.2006.03.037openalex-snapshot
A DFT study of the Diels–Alder reaction between methyl acrolein derivatives and cyclopentadiene. Understanding the effects of Lewis acids catalysts based on sulfur containing boron heterocycles
inferred← citeshttps://doi.org/10.1016/j.tet.2009.12.045openalex-snapshot
Asymmetric organocatalytic synthesis of six-membered oxygenated heterocycles
inferred← citeshttps://doi.org/10.1016/j.tet.2010.12.034openalex-snapshot
An experimental and theoretical investigation of the regio- and stereoselectivity of the polar [3+2] cycloaddition of azomethine ylides to nitrostyrenes
inferred← citeshttps://doi.org/10.1016/j.tet.2017.01.071openalex-snapshot
Theoretical exploration of mechanism of carbapenam formation in catalytic Kinugasa reaction
inferred← citeshttps://doi.org/10.1016/j.tet.2017.05.095openalex-snapshot
Single step mechanism for nucleophilic substitution of 2,3-dichloro naphthoquinone using nitrogen, oxygen and sulfur nucleophiles: A DFT approach
inferred← citeshttps://doi.org/10.1016/j.tetasy.2015.08.013openalex-snapshot
Asymmetric synthesis approach of enantiomerically pure spiro-indenoquinoxaline pyrrolidines and spiro-indenoquinoxaline pyrrolizidines
inferred← citeshttps://doi.org/10.1016/j.tetlet.2006.11.159openalex-snapshot
Enantioselective vinylogous aldol reaction of Chan’s diene catalyzed by hydrogen-bonding
inferred← citeshttps://doi.org/10.1016/j.tetlet.2008.01.025openalex-snapshot
Highly chemo- and diastereoselective synthesis of substituted tetrahydropyran-4-ones via organocatalytic oxa-Diels–Alder reactions of acyclic α,β-unsaturated ketones with aldehydes
inferred← citeshttps://doi.org/10.1016/j.tetlet.2011.10.017openalex-snapshot
Diels–Alder reactions of N-tosylpirroles developed in protic ionic liquids. Theoretical studies using DFT methods
inferred← citeshttps://doi.org/10.1016/j.tetlet.2012.09.071openalex-snapshot
Ionic liquids and microwave irradiation as synergistic combination for polar Diels–Alder reactions using properly substituted heterocycles as dienophiles. A DFT study related
inferred← citeshttps://doi.org/10.1016/j.tetlet.2013.05.077openalex-snapshot
A strategic approach to the synthesis of novel class of dispiroheterocyclic derivatives through 1,3 dipolar cycloaddition of azomethine ylide with (E)-3-arylidene-2,3-dihydro-8-nitro-4-quinolone
inferred← citeshttps://doi.org/10.1016/j.theochem.2006.02.020openalex-snapshot
Density functional study of noncovalent catalysis of the Diels–Alder reaction by the neutral hydrogen bond donors thiourea and urea
inferred← citeshttps://doi.org/10.1016/j.theochem.2006.12.051openalex-snapshot
Toward an understanding of the 1,3-dipolar cycloaddition between diphenylnitrone and a maleimide:bisamide complex. A DFT analysis of the reactivity of symmetrically substituted dipolarophiles
inferred← citeshttps://doi.org/10.1016/j.theochem.2007.06.018openalex-snapshot
Prediction of the reactivity of 2(5H)-furanones as potential dienophiles in Diels–Alder reactions using philicity indexes
inferred← citeshttps://doi.org/10.1016/j.theochem.2009.08.015openalex-snapshot
Substituent effects of α,β-unsaturated aldehyde compounds in inverse electron demand Hetero-Diels–Alder reactions: A theoretical study
inferred← citeshttps://doi.org/10.1016/s1380-7323(07)80010-0openalex-snapshot
Chapter 9 The electrophilicity index in organic chemistry
inferred← citeshttps://doi.org/10.1021/cr078014bopenalex-snapshot
Update 1 of: Electrophilicity Index
inferred← citeshttps://doi.org/10.1021/cr100149popenalex-snapshot
Update 2 of: Electrophilicity Index
inferred← citeshttps://doi.org/10.1021/cs501062uopenalex-snapshot
Mirroring Enzymes: The Role of Hydrogen Bonding in an Asymmetric Organocatalyzed Aza-Henry Reaction—a DFT Study
inferred← citeshttps://doi.org/10.1021/ic502535fopenalex-snapshot
Tuning the Reactivity of FeV(O) toward C–H Bonds at Room Temperature: Effect of Water
inferred← citeshttps://doi.org/10.1021/ja061458popenalex-snapshot
Interplay of Structure and Reactivity in a Most Unusual Furan Diels-Alder Reaction
inferred← citeshttps://doi.org/10.1021/jo0479213openalex-snapshot
A DFT Study of Diels−Alder Reactions of o-Quinone Methides and Various Substituted Ethenes: Selectivity and Reaction Mechanism
inferred← citeshttps://doi.org/10.1021/jo071004qopenalex-snapshot
Insights on Co-Catalyst-Promoted Enamine Formation between Dimethylamine and Propanal through Ab Initio and Density Functional Theory Study
inferred← citeshttps://doi.org/10.1021/jo301176topenalex-snapshot
Stepwise Diels–Alder: More than Just an Oddity? A Computational Mechanistic Study
inferred← citeshttps://doi.org/10.1021/jo801575gopenalex-snapshot
Understanding the Participation of Quadricyclane as Nucleophile in Polar [2σ + 2σ + 2π] Cycloadditions toward Electrophilic π Molecules
inferred← citeshttps://doi.org/10.1021/jp054048gopenalex-snapshot
Toward an Understanding of the Catalytic Role of Hydrogen-Bond Donor Solvents in the Hetero-Diels−Alder Reaction between Acetone and Butadiene Derivative
inferred← citeshttps://doi.org/10.1021/jp9088222openalex-snapshot
Theoretical Evaluation of Global and Local Electrophilicity Patterns to Characterize Hetero-Diels−Alder Cycloaddition of Three-Membered 2H-Azirine Ring System
inferred← citeshttps://doi.org/10.1021/ol0629925openalex-snapshot
Hydrogen Bonding Catalysis Operates by Charge Stabilization in Highly Polar Diels−Alder Reactions
inferred← citeshttps://doi.org/10.1021/ol202913wopenalex-snapshot
Mechanistic Insights into the Stepwise Diels–Alder Reaction of 4,6-Dinitrobenzofuroxan
inferred← citeshttps://doi.org/10.1038/s41467-018-03698-8openalex-snapshot
Water-promoted C-S bond formation reactions
inferred← citeshttps://doi.org/10.1038/s41467-020-15599-wopenalex-snapshot
Unusual KIE and dynamics effects in the Fe-catalyzed hetero-Diels-Alder reaction of unactivated aldehydes and dienes
inferred← citeshttps://doi.org/10.1039/b909611fopenalex-snapshot
Understanding the mechanism of polar Diels–Alder reactions
inferred← citeshttps://doi.org/10.1039/c1ra00717copenalex-snapshot
Understanding the origin of the asynchronicity in bond-formation in polar cycloaddition reactions. A DFT study of the 1,3-dipolar cycloaddition reaction of carbonyl ylides with 1,2-benzoquinones
inferred← citeshttps://doi.org/10.1039/c2cp41719gopenalex-snapshot
Microsolvated transition state models for improved insight into chemical properties and reaction mechanisms
inferred← citeshttps://doi.org/10.1039/c3ob41628copenalex-snapshot
Unraveling polar Diels–Alder reactions with conceptual DFT analysis and the distortion/interaction model
inferred← citeshttps://doi.org/10.1039/c3ra40929eopenalex-snapshot
Understanding C–C bond formation in polar reactions. An ELF analysis of the Friedel–Crafts reaction between indoles and nitroolefins
inferred← citeshttps://doi.org/10.1039/c4ra02916jopenalex-snapshot
Understanding the mechanism of the Povarov reaction. A DFT study
inferred← citeshttps://doi.org/10.1039/c5ra14071dopenalex-snapshot
An experimental and theoretical study on the regioselective synthesis of a new class of spiropyrrolothiazoles with quinoxaline motifs via a 1,3-dipolar cycloaddition reaction. An evaluation of DFT methods
inferred← citeshttps://doi.org/10.1039/c5ra17981eopenalex-snapshot
Theoretical study of the BINOL–zinc complex-catalyzed asymmetric inverse-electron-demand imino Diels–Alder reaction: mechanism and stereochemistry
inferred← citeshttps://doi.org/10.1039/c6ra22303fopenalex-snapshot
Reactivity descriptor for the retro Diels–Alder reaction of partially saturated 2-pyrones: DFT study on substituents and solvent effects
inferred← citeshttps://doi.org/10.1039/c9ob01197hopenalex-snapshot
Organocatalytic synthesis of enantiopure spiro acenaphthyl-pyrrolizidine/pyrrolidines: justifying the regioselectivity based on a distortion/interaction model
inferred← citeshttps://doi.org/10.1039/c9ob01963dopenalex-snapshot
Regio- and chemo-selective cyclization of allenic-Ugi products for the synthesis of 3-pyrroline skeletons
inferred← citeshttps://doi.org/10.1039/d1nj01373dopenalex-snapshot
Theoretical investigation of the effect of hydrogen bonding on the stereoselectivity of the Diels–Alder reaction
inferred← citeshttps://doi.org/10.1039/d1nj04221aopenalex-snapshot
Theoretical insight into the on-water catalytic effect in the biogenesis of triterpene dimers: from one-step to two-step hetero Diels–Alder reactions
inferred← citeshttps://doi.org/10.1039/d1ob01415copenalex-snapshot
The catalytic effects of a thiazolium salt in the oxa-Diels–Alder reaction between benzaldehyde and Danishefsky's diene: a molecular electron density theory study
inferred← citeshttps://doi.org/10.1063/1.4960955openalex-snapshot
A mechanochemical study of the effects of compression on a Diels-Alder reaction
inferred← citeshttps://doi.org/10.1080/00268976.2013.846485openalex-snapshot
On the importance of hydrogen bonding in the promotion of Diels–Alder reactions of unactivated aldehydes: a computational study
inferred← citeshttps://doi.org/10.1080/00268976.2019.1643509openalex-snapshot
Mechanistic study of the formation of quercetine cycloadducts under microwave conditions: a theoretical approach
inferred← citeshttps://doi.org/10.1134/s1070428015100115openalex-snapshot
Polyfunctional imidazoles: XI. Reaction of 1-aryl-4-chloro-5-(2-nitrovinyl)-1H-imidazoles with nonstabilized azomethine ylides. Synthesis of (1-aryl-4-chloro-1H-imidazol-5-yl)-substituted nitropyrrolidines and nitropyrrolizines
inferred← citeshttps://doi.org/10.1139/cjc-2015-0176openalex-snapshot
Comparative study of DFT/B3LYP, B3PW91, and HSEH1PBE methods applied to molecular structures and spectroscopic and electronic properties of flufenpyr and amipizone
inferred← citeshttps://doi.org/10.1142/s0219633606002210openalex-snapshot
AN ANALYSIS OF THE REGIOSELECTIVITY IN HETERO DIELS–ALDER REACTIONS USING DFT-BASED REACTIVITY INDEXES
inferred← citeshttps://doi.org/10.1142/s0219633620500054openalex-snapshot
DFT studies on the diastereoselectivity and regioselectivity of multicomponent domino Knoevenagel/Diels–Alder reaction
inferred← citeshttps://doi.org/10.3389/fchem.2019.00446openalex-snapshot
Theoretical Insights Into the Depolymerization Mechanism of Lignin to Methyl p-hydroxycinnamate by [Bmim][FeCl4] Ionic Liquid
Editorial review for independent work. ICSAC — the Institute for Complexity
Science and Advanced Computing — runs a structured editorial panel for researchers
publishing outside journals, and publishes on CiteStamp rails. Submission is free
and goes through ORCID: icsacinstitute.org/submit.