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On the generation of oxirene and dimethyloxirene by retro-DielsAlder reactions, and reactions of dimethyloxirene: a computational study

https://doi.org/10.1139/v01-194
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What this work says

Outgoing claims: the papers this work cites, builds on, or argues with.

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On the restricted step method coupled with the augmented Hessian for the search of stationary points of any continuous function
inferredcites →https://doi.org/10.1002/(sici)1521-3773(19990115)38:1/2<105::aid-anie105>3.0.co;2-5openalex-snapshot
Oxiranylidene
inferredcites →https://doi.org/10.1002/9780470147306openalex-snapshot
Topics in Stereochemistry
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Transition Structures of Hydrocarbon Pericyclic Reactions
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Die Kristall‐ und Molekülstruktur von 2,4‐Bis(diäthylamino)‐1,3‐ cyclobutadiendicarbonsäurediäthylester
inferredcites →https://doi.org/10.1016/0009-2614(84)85645-6openalex-snapshot
On the quantum theory of valence and bonding from the ab intio standpoint
inferredcites →https://doi.org/10.1016/0009-2614(91)85085-bopenalex-snapshot
Does oxirene exist? A theoretical inquiry involving the coupled-cluster method
inferredcites →https://doi.org/10.1016/0022-2860(95)09062-2openalex-snapshot
Strain energy of three-membered rings: a new ultradiagonal definition as applied to silicon- and carbon-containing species
inferredcites →https://doi.org/10.1016/s0009-2614(98)01119-1openalex-snapshot
A time-dependent density functional theory study of the electronically excited states of formaldehyde, acetaldehyde and acetone
inferredcites →https://doi.org/10.1016/s0022-328x(00)81021-9openalex-snapshot
Pyrolytic methods in organic chemistry
inferredcites →https://doi.org/10.1016/s0166-1280(02)00144-6openalex-snapshot
Reactions of oxiranylidene and dimethyloxiranylidene, and their generation by retro Diels–Alder-type reactions: a computational study
inferredcites →https://doi.org/10.1016/s0166-1280(03)00198-2openalex-snapshot
Assessment of density functional theory for the prediction of the nature of the oxirene stationary point
inferredcites →https://doi.org/10.1016/s0166-1280(96)04798-7openalex-snapshot
Push-pull substitution evidently does not stabilize the oxirene system: an AM1 and ab initio study
inferredcites →https://doi.org/10.1016/s0166-1280(97)00020-1openalex-snapshot
The effect of substituents on the thermodynamic and kinetic stabilities of alkynols: a semiempirical and ab initio survey of the effect of H, Li, BeH, BH2, CH3, NH2, OH and F
inferredcites →https://doi.org/10.1021/ar50107a003openalex-snapshot
Ab initio molecular orbital theory
inferredcites →https://doi.org/10.1021/cr00057a002openalex-snapshot
Oxirenes
inferredcites →https://doi.org/10.1021/cr60254a002openalex-snapshot
The reverse Diels-Alder or retrodiene reaction
inferredcites →https://doi.org/10.1021/ed074p201openalex-snapshot
What are Isodesmic Reactions?
inferredcites →https://doi.org/10.1021/j100075a009openalex-snapshot
Characterization of the progress of chemical reactions by ab initio bond orders
inferredcites →https://doi.org/10.1021/j100086a013openalex-snapshot
Oxirene: To Be or Not To Be?
inferredcites →https://doi.org/10.1021/ja00016a006openalex-snapshot
Gas-phase formation and rearrangements of methyloxirene and its cation radical
inferredcites →https://doi.org/10.1021/ja00099a057openalex-snapshot
Substituted Oxirenes (X2C2O, X = BH2, CH3, NH2, OH, F): Can They Be Made?
inferredcites →https://doi.org/10.1021/ja00177a006openalex-snapshot
Oxirenes and ketocarbenes from .alpha.-diazoketone photolysis: experiments in rare gas matrices. Relative stabilities and isomerization barriers from MNDOC-BWEN calculations
inferredcites →https://doi.org/10.1021/ja00184a005openalex-snapshot
The oxirene radical cation and its neutralization in the gas phase
inferredcites →https://doi.org/10.1021/ja00344a072openalex-snapshot
Argon-matrix isolation of bis(trifluoromethyl)oxirene, perfluoromethylethyloxirene, and their isomeric ketocarbenes
inferredcites →https://doi.org/10.1021/ja00363a050openalex-snapshot
Photochemistry of perfluoro-3-diazo-2-butanone
inferredcites →https://doi.org/10.1021/ja01607a027openalex-snapshot
A Correlation of Reaction Rates
inferredcites →https://doi.org/10.1021/jo00152a023openalex-snapshot
Photolysis of .alpha.-diazo ketones in the gas phase monitored by Fourier-transform infrared spectrometry
inferredcites →https://doi.org/10.1063/1.477483openalex-snapshot
An efficient implementation of time-dependent density-functional theory for the calculation of excitation energies of large molecules
inferredcites →https://doi.org/10.1093/oso/9780198558637.001.0001openalex-snapshot
Matrix-Isolation Techniques
inferredcites →https://doi.org/10.1126/science.286.5442.1119openalex-snapshot
Experimental Determination of the Antiaromaticity of Cyclobutadiene
inferredcites →https://doi.org/10.1139/cjc-78-2-297openalex-snapshot
Benzooxirene, naphthooxirenes, and anthraceneoxirenes: the stabilization of the oxirene system by bond fixation in acenes. A comparison of ab initio and DFT in the investigation of annelated oxirenes
inferredcites →https://doi.org/10.1139/v77-135openalex-snapshot
Flash thermolysis of formal oxirene–arene adducts. Rearrangement to cycloheptatriene carboxaldehydes and the question of the formation of oxirene

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.4809286openalex-extracted
Oxirene and Thiirene: Molecular Aggregation and Interaction with Water
inferred← citeshttps://doi.org/10.1002/0471238961.1105200501020105.a01.pub2openalex-snapshot
Ketenes, Ketene Dimers, and Related Substances
inferred← citeshttps://doi.org/10.1002/chin.200419265openalex-snapshot
Matrix Photochemistry of Small Ring Compounds
inferred← citeshttps://doi.org/10.1007/978-1-4020-6973-4_3openalex-snapshot
Oxirene
inferred← citeshttps://doi.org/10.1007/978-3-031-51443-2_6openalex-snapshot
Semiempirical Calculations
inferred← citeshttps://doi.org/10.1007/978-3-319-30916-3_6openalex-snapshot
Semiempirical Calculations
inferred← citeshttps://doi.org/10.1007/978-90-481-3862-3_6openalex-snapshot
Semiempirical Calculations
inferred← citeshttps://doi.org/10.1007/s00894-024-06193-8openalex-snapshot
Constructing, in silico, molecular self-aggregates and micro-hydrated complexes of oxirene and thiirene
inferred← citeshttps://doi.org/10.1016/b978-008044992-0.00103-6openalex-snapshot
Oxiranes and Oxirenes: Monocyclic
inferred← citeshttps://doi.org/10.1016/s0166-1280(02)00144-6openalex-snapshot
Reactions of oxiranylidene and dimethyloxiranylidene, and their generation by retro Diels–Alder-type reactions: a computational study
inferred← citeshttps://doi.org/10.1016/s0166-1280(03)00198-2openalex-snapshot
Assessment of density functional theory for the prediction of the nature of the oxirene stationary point
inferred← citeshttps://doi.org/10.1021/acs.orglett.6c01729openalex-snapshot
meta -Chloroperbenzoic-Acid-Promoted Oxidative Annulations of Alkynes and Nitriles into Oxazoles via Putative β-Hydroxy Vinyl Cations
inferred← citeshttps://doi.org/10.1021/acs.orglett.9b03411openalex-snapshot
β-Oxidation of Ynamides into N,O-Acetals by mCPBA: Application in Enantioselective Intermolecular Transacetalization
inferred← citeshttps://doi.org/10.1021/ja060216mopenalex-snapshot
Computational Study of Carbon Atom (3P and 1D) Reaction with CH2O. Theoretical Evaluation of 1B1 Methylene Production by C (1D)
inferred← citeshttps://doi.org/10.1021/ja803230aopenalex-snapshot
Evidence for Nonstatistical Dynamics in the Wolff Rearrangement of a Carbene
inferred← citeshttps://doi.org/10.1111/php.13472openalex-snapshot
Photochemical Valence Isomerization to High Energy Products—Bicyclobutanes and Oxabicyclobutanes†
inferred← citeshttps://doi.org/10.1139/v03-178openalex-snapshot
Azabenzenes (azines) The nitrogen derivatives of benzene with one to six N atoms: Stability, homodesmotic stabilization energy, electron distribution, and magnetic ring current; a computational study
inferred← citeshttps://doi.org/10.1201/9780203495902.ch15openalex-snapshot
Matrix Photochemistry of Small Ring Compounds
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