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Protonation of three-membered ring heterocycles: an ab initio molecular orbital study
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inferred← citeshttps://doi.org/10.2139/ssrn.4809286openalex-extracted
Oxirene and Thiirene: Molecular Aggregation and Interaction with Water
inferred← citeshttps://doi.org/10.1002/(sici)1099-0682(200001)2000:1<103::aid-ejic103>3.0.co;2-dopenalex-snapshot
Calculated Properties and Ring-Chain Rearrangements of Triphosphirane (P3H3)
inferred← citeshttps://doi.org/10.1002/9783527637737.ch2openalex-snapshot
Three‐Membered Heterocycles. Structure and Reactivity
inferred← citeshttps://doi.org/10.1002/chin.200038288openalex-snapshot
ChemInform Abstract: Azirines and Aziridines Revisited
inferred← citeshttps://doi.org/10.1002/jcc.540100404openalex-snapshot
Nitrogen inversion barriers in three‐membered rings. An ab initio molecular orbital study
inferred← citeshttps://doi.org/10.1002/oms.1210290404openalex-snapshot
Methoxymethyl cation [CH3OCH2]+ revisited: Experimental and theoretical study
inferred← citeshttps://doi.org/10.1002/qua.20862openalex-snapshot
Proton affinity of five‐membered heterocyclic amines: Assessment of computational procedures
inferred← citeshttps://doi.org/10.1002/qua.24017openalex-snapshot
Protonation of 5‐methylhydantoin and its thio derivatives in the gas phase: A theoretical study
inferred← citeshttps://doi.org/10.1007/bf00530440openalex-snapshot
Thermodynamic stability and reactivity of the antiaromatic heterocycle 1H-azirine
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/10.1007/s10947-006-0005-5openalex-snapshot
Isomer structures of thioketene and its cyclic oligomers. Ab initio calculations
inferred← citeshttps://doi.org/10.1016/0009-2614(90)80141-yopenalex-snapshot
Bond activation by protonation in the gas phase
inferred← citeshttps://doi.org/10.1016/0166-1280(90)85118-7openalex-snapshot
Cyclic and open-chain carbonium ion intermediates in nucleophilic halogen displacement: 2-chloroethanol, 2-chloroethanethilol and their 1,3-propane homologues. A theoretical ab-initio mo approach
inferred← citeshttps://doi.org/10.1016/0166-1280(92)80008-aopenalex-snapshot
Theoretical studies on aza-analogs of platonic hydrocarbons
inferred← citeshttps://doi.org/10.1016/0166-1280(93)90048-gopenalex-snapshot
Ab initio calculation of 14N and 35Cl nuclear quadrupole coupling constants in aziridine and Cl-aziridine
inferred← citeshttps://doi.org/10.1016/0166-1280(94)04050-3openalex-snapshot
Aziridinone and 2-azetidinone and their protonated structures. An ab initio molecular orbital study making comparisons with bridgehead bicyclic lactams and acetamide
inferred← citeshttps://doi.org/10.1016/0166-1280(94)80060-xopenalex-snapshot
An ab initio study of the azoniaspiro[2.2]pentane cation (aziridineaziridinium ion)
inferred← citeshttps://doi.org/10.1016/0168-1176(92)80089-jopenalex-snapshot
The mechanisms of the gas phase reactions of HO− with oxirane and HS− with thiirane. An ab initio study
inferred← citeshttps://doi.org/10.1016/b978-0-443-13583-5.00008-6openalex-snapshot
Synthesis of azirines
inferred← citeshttps://doi.org/10.1016/b978-008096518-5.00001-0openalex-snapshot
Aziridines and Azirines: Monocyclic
inferred← citeshttps://doi.org/10.1016/b978-008096518-5.00005-8openalex-snapshot
Thiiranes and Thiirenes: Monocyclic
inferred← citeshttps://doi.org/10.1016/j.cplett.2005.02.065openalex-snapshot
QTAIM study of the electronic structure and strain energy of fluorine substituted oxiranes and thiiranes
inferred← citeshttps://doi.org/10.1016/j.tetlet.2012.09.061openalex-snapshot
Acremolin, a stable natural product with an antiaromatic 1H-azirine moiety? A structural reorientation
inferred← citeshttps://doi.org/10.1016/j.tetlet.2013.08.122openalex-snapshot
Stable but chimeric antiaromatic 1H-azirines? A threefold reinvestigation
inferred← citeshttps://doi.org/10.1016/j.theochem.2006.09.002openalex-snapshot
A theoretical study of the solvent effects in ethylene oxide: Hydrofluoric acid complex using continuum and new discrete models
inferred← citeshttps://doi.org/10.1016/s0009-2614(03)00290-2openalex-snapshot
AIM study on the protonation of methyl oxiranes
inferred← citeshttps://doi.org/10.1016/s0065-2725(00)77003-6openalex-snapshot
Tautomerism involving other than five-and six-membered rings
inferred← citeshttps://doi.org/10.1016/s0166-1280(02)00061-1openalex-snapshot
AIM electron density analysis on the structure and bonding in oxiranes
inferred← citeshttps://doi.org/10.1016/s0166-1280(98)00135-3openalex-snapshot
A G2 ab initio study of C2H5S+ ions: I. Structures, energetics, and unimolecular isomerizations of non-carbenoid isomers
inferred← citeshttps://doi.org/10.1016/s0301-0104(02)00984-9openalex-snapshot
AIM interpretation of strain energy of oxiranes
inferred← citeshttps://doi.org/10.1016/s0960-894x(01)00592-3openalex-snapshot
2-Benzyl-3,4-iminobutanoic Acid as Inhibitor of Carboxypeptidase A
inferred← citeshttps://doi.org/10.1016/s1380-7323(96)80050-1openalex-snapshot
Modelling Intrinsic Basicities: The Use of the Electrostatic Potentials and the Atoms-in-Molecules Theory
inferred← citeshttps://doi.org/10.1016/s1527-4640(00)80008-xopenalex-snapshot
Azirines and aziridines revisited
inferred← citeshttps://doi.org/10.1021/ja004235mopenalex-snapshot
Carbomethoxychlorocarbene: Spectroscopy, Theory, Chemistry and Kinetics
inferred← citeshttps://doi.org/10.1021/jp0115446openalex-snapshot
Unimolecular Reactivity of Protonated α,ω-Alkanediamines in the Gas Phase
inferred← citeshttps://doi.org/10.1021/jp971958sopenalex-snapshot
Electronic Structure of Thiirene and Silacyclopropene Substituted with Electropositive Groups
inferred← citeshttps://doi.org/10.1021/jp9941054openalex-snapshot
Structures, Energetics, and Reactions of [C2H3S] Radicals and [C2H3S]+ Ions: A Gaussian-2 ab Initio Study
inferred← citeshttps://doi.org/10.1023/a:1023486704988openalex-snapshot
Kinetic and Quantum-Chemical Study of Oxirane Ring Cleavage with Acids
inferred← citeshttps://doi.org/10.1039/c7dt02911jopenalex-snapshot
Ring contraction of metallabenzooxirene to metal carbonyl complexes – a comparative study with the Wolff rearrangement of oxirene and benzooxirene
inferred← citeshttps://doi.org/10.1039/p29900000565openalex-snapshot
A theoretical study of the proton affinities of water, alcohols, and ethers: absolute versus relative basicities
inferred← citeshttps://doi.org/10.1039/p29960000299openalex-snapshot
Opening the aziridinimine ring: a theoretical study
inferred← citeshttps://doi.org/10.1080/00304940209356770openalex-snapshot
PREPARATION, PROPERTIES AND SYNTHETIC APPLICATIONS OF 2H-AZIRINES A REVIEW
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