On the public citation graph
Theoretical Studies of Diels−Alder Reactions of Acetylenic Compounds
0 signed · 94 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known work and none has been retracted — and get a dated CiteStamped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/anie.198007791openalex-snapshot
Mechanistic Aspects of Diels‐Alder Reactions: A Critical Survey
inferredcites →https://doi.org/10.1002/anie.199206821openalex-snapshot
Transition Structures of Hydrocarbon Pericyclic Reactions
inferredcites →https://doi.org/10.1002/cber.19640971129openalex-snapshot
Eine Studie der D IELS ‐A LDER ‐Reaktion, I. Die Reaktivität von Dienophilen gegenüber Cyclopentadien und 9.10‐Dimethyl‐anthracen
inferredcites →https://doi.org/10.1002/jcc.540160911openalex-snapshot
IMOMM: A new integrated ab initio + molecular mechanics geometry optimization scheme of equilibrium structures and transition states
inferredcites →https://doi.org/10.1002/kin.550070302openalex-snapshot
The kinetics of the Diels–Alder addition of cyclopentadiene to acetylene and the decomposition of norbornadiene
inferredcites →https://doi.org/10.1002/kin.550090211openalex-snapshot
Thermal dimerization of 1,3‐butadiene: Kinetics of the formation of cis, cis‐cycloocta‐1,5‐diene
inferredcites →https://doi.org/10.1007/bf00533485openalex-snapshot
The influence of polarization functions on molecular orbital hydrogenation energies
inferredcites →https://doi.org/10.1007/bf00668337openalex-snapshot
Theoretical study of the Diels-Alder reaction
inferredcites →https://doi.org/10.1016/0009-2614(80)80628-2openalex-snapshot
The isomers of silacyclopropane
inferredcites →https://doi.org/10.1016/0009-2614(83)87048-1openalex-snapshot
The effect of the correlation energy on the mechanism of the Diels—Alder reaction
inferredcites →https://doi.org/10.1016/0166-1280(87)85065-0openalex-snapshot
Theoretical study of the mechanism of the cycloaddition of acetylene to α-pyrone: Asynchronism and substituent effects
inferredcites →https://doi.org/10.1016/0166-1280(88)87031-3openalex-snapshot
Potential energy surfaces of cycloaddition reactions
inferredcites →https://doi.org/10.1016/s0022-328x(00)81551-xopenalex-snapshot
The chemistry of the carboncarbon triple bond
inferredcites →https://doi.org/10.1016/s0040-4039(00)95079-2openalex-snapshot
The influence of substituent induced asynchronicity on the stereochemistries of intramolecular diels-alder reactions
inferredcites →https://doi.org/10.1021/ja00060a048openalex-snapshot
Ab initio study of Diels-Alder reactions of cyclopentadiene with ethylene, isoprene, cyclopentadiene, acrylonitrile, and methyl vinyl ketone
inferredcites →https://doi.org/10.1021/ja00069a055openalex-snapshot
Diels-Alder dimerization of 1,3-butadiene: an ab initio CASSCF study of the concerted and stepwise mechanisms and butadiene-ethylene revisited
inferredcites →https://doi.org/10.1021/ja00279a018openalex-snapshot
Mechanism of the Diels-Alder reaction: reactions of butadiene with ethylene and cyanoethylenes
inferredcites →https://doi.org/10.1021/ja00313a041openalex-snapshot
Mechanism of the Diels-Alder reaction. Studies of the addition of maleic anhydride to furan and methylfurans
inferredcites →https://doi.org/10.1021/ja00313a042openalex-snapshot
Multibond reactions cannot normally be synchronous
inferredcites →https://doi.org/10.1021/jo00299a021openalex-snapshot
Ab initio Cs transition state for the Diels-Alder reaction of acetylene and butadiene
inferredcites →https://doi.org/10.1021/jo00836a068openalex-snapshot
Bis adducts of dimethyl acetylenedicarboxylate and certain furans
inferredcites →https://doi.org/10.1021/jp951762xopenalex-snapshot
Application of the New “Integrated MO + MM” (IMOMM) Method to the Organometallic Reaction Pt(PR3)2 + H2 (R = H, Me, t-Bu, and Ph)
inferredcites →https://doi.org/10.1021/jp962071jopenalex-snapshot
ONIOM: A Multilayered Integrated MO + MM Method for Geometry Optimizations and Single Point Energy Predictions. A Test for Diels−Alder Reactions and Pt(P(t-Bu)3)2 + H2 Oxidative Addition
inferredcites →https://doi.org/10.1039/c39850001051openalex-snapshot
Towards an accurate ab initio calculation of the transition state structures of the Diels–Alder reaction
inferredcites →https://doi.org/10.1039/df9511000198openalex-snapshot
Kinetics of diene reactions at high temperatures
inferredcites →https://doi.org/10.1063/1.1674902openalex-snapshot
Self-Consistent Molecular-Orbital Methods. IX. An Extended Gaussian-Type Basis for Molecular-Orbital Studies of Organic Molecules
inferredcites →https://doi.org/10.1063/1.1677527openalex-snapshot
Self—Consistent Molecular Orbital Methods. XII. Further Extensions of Gaussian—Type Basis Sets for Use in Molecular Orbital Studies of Organic Molecules
inferredcites →https://doi.org/10.1063/1.1750519openalex-snapshot
The Polymerization of Gaseous Butadiene
inferredcites →https://doi.org/10.1063/1.464913openalex-snapshot
Density-functional thermochemistry. III. The role of exact exchange
inferredcites →https://doi.org/10.1063/1.472065openalex-snapshot
The IMOMO method: Integration of different levels of molecular orbital approximations for geometry optimization of large systems: Test for n -butane conformation and S N 2 reaction: RCl+Cl−
inferredcites →https://doi.org/10.1063/1.472235openalex-snapshot
Energetics using the single point IMOMO (integrated molecular orbital+molecular orbital) calculations: Choices of computational levels and model system
inferredcites →https://doi.org/10.1080/00268977400100171openalex-snapshot
Accuracy of AH n equilibrium geometries by single determinant molecular orbital 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/10.1002/1096-987x(200012)21:16<1419::aid-jcc1>3.0.co;2-copenalex-snapshot
On the application of the IMOMO (integrated molecular orbital + molecular orbital) method
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/chem.201601799openalex-snapshot
Reactivity of Single‐Walled Carbon Nanotubes in the Diels–Alder Cycloaddition Reaction: Distortion–Interaction Analysis along the Reaction Pathway
inferred← citeshttps://doi.org/10.1002/cjoc.201400516openalex-snapshot
Direct Coupling Reaction of Diaryl Methanol with Ketones or Aldehydes Catalyzed by AlCl3
inferred← citeshttps://doi.org/10.1002/poc.4100openalex-snapshot
Unveiling the high reactivity of strained dibenzocyclooctyne in [3 + 2] cycloaddition reactions with diazoalkanes through the molecular electron density theory
inferred← citeshttps://doi.org/10.1002/poc.615openalex-snapshot
Effect of methyl and vinyl substitution on the geometries, relative stabilities and Diels–Alder reactivities of phospholes: a DFT study
inferred← citeshttps://doi.org/10.1016/j.chemosphere.2021.132793openalex-snapshot
Formation and growth mechanisms of polycyclic aromatic hydrocarbons: A mini-review
inferred← citeshttps://doi.org/10.1016/j.cplett.2014.05.058openalex-snapshot
An experimental and theoretical investigation of the formation of C7H7 isomers in the bimolecular reaction of dicarbon molecules with 1,3-pentadiene
inferred← citeshttps://doi.org/10.1016/j.cplett.2021.138564openalex-snapshot
Theoretical investigation of benzo(a)pyrene formation
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.tetlet.2011.05.143openalex-snapshot
Assessing the halogen effect in Diels–Alder reactions involving chiral α-halo enones. A combined experimental and DFT computational approach
inferred← citeshttps://doi.org/10.1016/j.theochem.2009.06.018openalex-snapshot
A competition between carbo and hetero Diels–Alder reactions of E-2-phenyl-1-cyano-1-nitroethene to cyclopentadiene in the light of B3LYP/6-31G(d) computational study
inferred← citeshttps://doi.org/10.1016/s0022-328x(00)00495-2openalex-snapshot
An ab initio study on the structure and reactivity of 1,4-disilabenzene
inferred← citeshttps://doi.org/10.1016/s0040-4020(01)00354-4openalex-snapshot
Isotope effects and the distinction between synchronous, asynchronous, and stepwise Diels–Alder reactions
inferred← citeshttps://doi.org/10.1016/s0040-4020(99)00667-5openalex-snapshot
Differences in rates of Diels-Alder reactions as experimental indicators of synchronous or asynchronous transition states
inferred← citeshttps://doi.org/10.1016/s0040-4020(99)00982-5openalex-snapshot
A chiral probe for the asynchronous transition state of diels-alder reactions with acetylenedicarboxylate
inferred← citeshttps://doi.org/10.1016/s0166-1280(02)00284-1openalex-snapshot
Diels–Alder reactions between cyclic five-membered dienes and acetylene
inferred← citeshttps://doi.org/10.1016/s0166-1280(03)00105-2openalex-snapshot
A theoretical study on cycloaddition reactions between [c]-annelated heterocyclic five-membered dienes and acetylene
inferred← citeshttps://doi.org/10.1021/acs.joc.5b00174openalex-snapshot
Theoretical Analysis of Reactivity Patterns in Diels–Alder Reactions of Cyclopentadiene, Cyclohexadiene, and Cycloheptadiene with Symmetrical and Unsymmetrical Dienophiles
inferred← citeshttps://doi.org/10.1021/acs.joc.5b01951openalex-snapshot
Natural Diels–Alderases: Elusive and Irresistable
inferred← citeshttps://doi.org/10.1021/acs.joc.9b00295openalex-snapshot
Insights into N-Heterocyclic Carbene-Catalyzed Oxidative α-C(sp3)–H Activation of Aliphatic Aldehydes and Cascade [2 + 2] Cycloaddition with Ketimines
inferred← citeshttps://doi.org/10.1021/ct0500491openalex-snapshot
Hydrogen Abstraction Acetylene Addition and Diels−Alder Mechanisms of PAH Formation: A Detailed Study Using First Principles Calculations
inferred← citeshttps://doi.org/10.1021/ct200293wopenalex-snapshot
Extraordinary Difference in Reactivity of Ozone (OOO) and Sulfur Dioxide (OSO): A Theoretical Study
inferred← citeshttps://doi.org/10.1021/ja065762uopenalex-snapshot
Highly Selective Diels-Alder Reactions of Directly Connected Enyne Dienophiles
inferred← citeshttps://doi.org/10.1021/ja078242nopenalex-snapshot
Ligand-Tuned Regioselectivity of a Cobalt-Catalyzed Diels−Alder Reaction. A Theoretical Study
inferred← citeshttps://doi.org/10.1021/ja108432bopenalex-snapshot
Mechanism and Stereoselectivity of the Stepwise 1,3-Dipolar Cycloadditions between a Thiocarbonyl Ylide and Electron-Deficient Dipolarophiles: A Computational Investigation
inferred← citeshttps://doi.org/10.1021/ja800009zopenalex-snapshot
Theory of 1,3-Dipolar Cycloadditions: Distortion/Interaction and Frontier Molecular Orbital Models
inferred← citeshttps://doi.org/10.1021/ja809142xopenalex-snapshot
Transition State Distortion Energies Correlate with Activation Energies of 1,4-Dihydrogenations and Diels−Alder Cycloadditions of Aromatic Molecules
inferred← citeshttps://doi.org/10.1021/ja909372fopenalex-snapshot
Dynamics of 1,3-Dipolar Cycloadditions: Energy Partitioning of Reactants and Quantitation of Synchronicity
inferred← citeshttps://doi.org/10.1021/jacs.4c13999openalex-snapshot
Interrogation of Enantioselectivity in the Photomediated Ring Contractions of Saturated Heterocycles
inferred← citeshttps://doi.org/10.1021/jacs.8b01896openalex-snapshot
Mechanistic Study on Cu(II)-Catalyzed Oxidative Cross-Coupling Reaction between Arenes and Boronic Acids under Aerobic Conditions
inferred← citeshttps://doi.org/10.1021/jo020714nopenalex-snapshot
Origin of the Synchronicity on the Transition Structures of Polar Diels−Alder Reactions. Are These Reactions [4 + 2] Processes?
inferred← citeshttps://doi.org/10.1021/jo300812qopenalex-snapshot
Transannular Diels–Alder Reactivities of 14-Membered Macrocylic Trienes and Their Relationship with the Conformational Preferences of the Reactants: A Combined Quantum Chemical and Molecular Dynamics Study
inferred← citeshttps://doi.org/10.1021/jo400550copenalex-snapshot
Computational Investigations on Base-Catalyzed Diaryl Ether Formation
inferred← citeshttps://doi.org/10.1021/jo5017844openalex-snapshot
DFT Study of the Mechanism and Stereochemistry of the Rh(I)-Catalyzed Diels–Alder Reactions between Electronically Neutral Dienes and Dienophiles
inferred← citeshttps://doi.org/10.1021/jo502041fopenalex-snapshot
Diels–Alder Reactions of Allene with Benzene and Butadiene: Concerted, Stepwise, and Ambimodal Transition States
inferred← citeshttps://doi.org/10.1021/jp012603iopenalex-snapshot
Density Functional Theory Study for the Cycloaddition of 1,3-Butadienes with Dimethyl Acetylenedicarboxylate. Polar Stepwise vs Concerted Mechanisms
inferred← citeshttps://doi.org/10.1021/jp020406topenalex-snapshot
Ab Initio and DFT Study of the Formation Mechanisms of Polycyclic Aromatic Hydrocarbons: The Phenanthrene Synthesis from Biphenyl and Naphthalene
inferred← citeshttps://doi.org/10.1021/jp034642vopenalex-snapshot
Ab Initio and Density Functional Theory (DFT) Study on [1,5] Sigmatropic Rearrangements in Pyrroles, Phospholes, and Siloles and Their Diels−Alder Reactivities,
inferred← citeshttps://doi.org/10.1021/jp035501wopenalex-snapshot
A Standard Set of Pericyclic Reactions of Hydrocarbons for the Benchmarking of Computational Methods: The Performance of ab Initio, Density Functional, CASSCF, CASPT2, and CBS-QB3 Methods for the Prediction of Activation Barriers, Reaction Energetics, and Transition State Geometries
inferred← citeshttps://doi.org/10.1021/jp050347uopenalex-snapshot
Mechanism of Scandium Ion Catalyzed Diels−Alder Reaction of Anthracenes with Methyl Vinyl Ketone
inferred← citeshttps://doi.org/10.1021/jp3120379openalex-snapshot
Molecular Mechanisms in the Pyrolysis of Unsaturated Chlorinated Hydrocarbons: Formation of Benzene Rings. 1. Quantum Chemical Studies
inferred← citeshttps://doi.org/10.1021/jp508979uopenalex-snapshot
Role of Hydrogen Abstraction Acetylene Addition Mechanisms in the Formation of Chlorinated Naphthalenes. 1. A Quantum Chemical Investigation
inferred← citeshttps://doi.org/10.1021/om990316jopenalex-snapshot
Thermal Addition of Disilacyclobutenes and Acetylene: A Theoretical Study on Diels−Alder Type Reactions
inferred← citeshttps://doi.org/10.1039/b101390oopenalex-snapshot
3 Theoretical description of reaction mechanisms: reaction pathways and electronic structure rearrangements
inferred← citeshttps://doi.org/10.1039/b925441bopenalex-snapshot
CDASE—A reliable scheme to explain the reactivity sequence between Diels–Alder pairs
inferred← citeshttps://doi.org/10.1039/c2ob07079kopenalex-snapshot
Accurate prediction of rate constants of Diels–Alder reactions and application to design of Diels–Alder ligation
inferred← citeshttps://doi.org/10.1039/c5ra02703aopenalex-snapshot
Mechanism and selectivity for zinc-mediated cycloaddition of azides with alkynes: a computational study
inferred← citeshttps://doi.org/10.1039/c5ra10345bopenalex-snapshot
Distortion–interaction analysis along the reaction pathway to reveal the reactivity of the Alder-ene reaction of enes
inferred← citeshttps://doi.org/10.1039/c8ob02568aopenalex-snapshot
Unveiling the high reactivity of cyclohexynes in [3 + 2] cycloaddition reactions through the molecular electron density theory
inferred← citeshttps://doi.org/10.1039/c9ob02467kopenalex-snapshot
A molecular electron density theory study of the enhanced reactivity of aza aromatic compounds participating in Diels–Alder reactions
inferred← citeshttps://doi.org/10.1039/d0ob02458aopenalex-snapshot
Understanding the mechanism of the chiral phosphoric acid-catalyzed aza-Cope rearrangement
inferred← citeshttps://doi.org/10.1039/d0ra01548bopenalex-snapshot
A molecular electron density theory study of the participation of tetrazines in aza-Diels–Alder reactions
inferred← citeshttps://doi.org/10.1039/d3cp00329aopenalex-snapshot
A combined BET and IQA–REG study of the activation energy of non-polar zw-type [3+2] cycloaddition reactions
inferred← citeshttps://doi.org/10.1055/a-1654-2318openalex-snapshot
Acetylene and Ethylene: Universal C2 Molecular Units in Cycloaddition Reactions
inferred← citeshttps://doi.org/10.11648/j.ijpc.20210701.13openalex-snapshot
Tandem Cycloaddition-Cycloreversion of 2-pyrone and 1,4-oxazinone with Acetylene - A DFT Insight
inferred← citeshttps://doi.org/10.3390/app13137877openalex-snapshot
Polycyclic Aromatic Hydrocarbon Occurrence and Formation in Processed Meat, Edible Oils, and Cereal-Derived Products: A Review
inferred← citeshttps://doi.org/10.3390/catal12040415openalex-snapshot
BF3–Catalyzed Diels–Alder Reaction between Butadiene and Methyl Acrylate in Aqueous Solution—An URVA and Local Vibrational Mode Study
inferred← citeshttps://doi.org/10.3390/molecules24061040openalex-snapshot
Formation Mechanism of Benzo(a)pyrene: One of the Most Carcinogenic Polycyclic Aromatic Hydrocarbons (PAH)
inferred← citeshttps://doi.org/10.3998/ark.5550190.0007.301openalex-snapshot
A Tribute to Prof. Jim Coxon
inferred← citeshttps://doi.org/10.5562/cca3570openalex-snapshot
Computational Study of Electronic Influence of Guanidine Substitution on Diels-Alder Reactions of Heterocyclic Dienes
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.