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On the Question of Stepwise [4+2] Cycloaddition Reactions and Their Stereochemical Aspects.
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- Symmetry (20738994), 2021, v. 13, n. 10, p. 1911, doi. 10.3390/sym13101911
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- Article
A General Phenomenon of Spontaneous Amplification of Optical Purity under Achiral Chromatographic Conditions.
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- Symmetry (20738994), 2019, v. 11, n. 5, p. 680, doi. 10.3390/sym11050680
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A Quantum-Chemical DFT Approach to Elucidation of the Chirality Transfer Mechanism of the Enantioselective Suzuki–Miyaura Cross-Coupling Reaction.
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- Journal of Chemistry, 2017, p. 1, doi. 10.1155/2017/3617527
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Does a fluorinated Lewis acid catalyst change the molecular mechanism of the decomposition process of nitroethyl carboxylates?
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- Research on Chemical Intermediates, 2018, v. 44, n. 1, p. 325, doi. 10.1007/s11164-017-3106-1
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- Article
Competition between [2 + 1]- and [4 + 1]-cycloaddition mechanisms in reactions of conjugated nitroalkenes with dichlorocarbene in the light of a DFT computational study.
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- Journal of Molecular Modeling, 2019, v. 25, n. 6, p. N.PAG, doi. 10.1007/s00894-019-4006-7
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- Article
Regioselectivity, stereoselectivity, and molecular mechanism of [3 + 2] cycloaddition reactions between 2-methyl-1-nitroprop-1-ene and (Z)-C-aryl-N-phenylnitrones: a DFT computational study.
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- Journal of Molecular Modeling, 2018, v. 24, n. 11, p. 1, doi. 10.1007/s00894-018-3861-y
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A DFT computational study of the molecular mechanism of [3 + 2] cycloaddition reactions between nitroethene and benzonitrile N-oxides.
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- Journal of Molecular Modeling, 2017, v. 23, n. 1, p. 1, doi. 10.1007/s00894-016-3185-8
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A polar nature of benzoic acids extrusion from nitroalkyl benzoates: DFT mechanistic study
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- Journal of Molecular Modeling, 2015, v. 21, n. 3, p. 1, doi. 10.1007/s00894-015-2592-6
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- Article
Microwave‐Assisted Solvent‐Free Synthesis of Ipsapirone.
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- Journal of Heterocyclic Chemistry, 2019, v. 56, n. 5, p. 1498, doi. 10.1002/jhet.3520
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- Article
A Full Regioselective and Stereoselective Synthesis of 4-Nitroisoxazolidines via Stepwise [3 + 2] Cycloaddition Reactions between ( Z)- C-(9-Anthryl)- N-arylnitrones and ( E)-3,3,3-Trichloro-1-nitroprop-1-ene: Comprehensive Experimental and Theoretical Study
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- Journal of Heterocyclic Chemistry, 2017, v. 54, n. 6, p. 3314, doi. 10.1002/jhet.2951
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- Article
Experimental and Theoretical DFT Study on Synthesis of Sterically Crowded 2,3,3,(4)5-Tetrasubstituted-4-nitroisoxazolidines via.
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- Journal of Heterocyclic Chemistry, 2016, v. 53, n. 5, p. 1424, doi. 10.1002/jhet.2442
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- Article
Synthesis and Properties of Azoles and Their Derivatives. Part 70.
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- Journal of Heterocyclic Chemistry, 2015, v. 52, n. 1, p. 185, doi. 10.1002/jhet.2020
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- Article
Relationship between structure and efficiency of atropisomeric phosphine ligands in homogeneous catalytic asymmetric hydrogenation Relationship between structure and efficiency of atropisomeric phosphine ligands in homogeneous catalytic asymmetric hydrogenation
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- Journal of Physical Organic Chemistry, 2012, v. 25, n. 11, p. 1006, doi. 10.1002/poc.2998
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- Article
Stereoselectivity and kinetics of [4 + 2] cycloaddition reaction of cyclopentadiene to para-substituted E-2-arylnitroethenes.
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- Journal of Physical Organic Chemistry, 2011, v. 24, n. 9, p. 843, doi. 10.1002/poc.1853
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- Article
A DFT study on the (2 + 3) cycloaddition reactions of 2-nitropropene-1 with Z-C, N-diarylnitrones.
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- Journal of Physical Organic Chemistry, 2009, v. 22, n. 8, p. 717, doi. 10.1002/poc.1505
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- Article
Environmental footprints and implications of converting GHG species to value-added chemicals: a review.
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- Reviews in Chemical Engineering, 2024, v. 40, n. 4, p. 457, doi. 10.1515/revce-2023-0010
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- Article
A DFT Study on the Barton–Kellogg Reaction – The Molecular Mechanism of the Formation of Thiiranes in the Reaction between Diphenyldiazomethane and Diaryl Thioketones.
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- European Journal of Organic Chemistry, 2020, v. 2020, n. 2, p. 176, doi. 10.1002/ejoc.201901443
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- Article
Experimental and Computational Studies on Stepwise [3+2]‐Cycloadditions of Diaryldiazomethanes with Electron‐Deficient Dimethyl (E)‐ and (Z)‐2,3‐Dicyanobutenedioates.
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- European Journal of Organic Chemistry, 2019, v. 2019, n. 2/3, p. 422, doi. 10.1002/ejoc.201800837
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- Article
Syn -Propanethial S-Oxide as an Available Natural Building Block for the Preparation of Nitro-Functionalized, Sulfur-Containing Five-Membered Heterocycles: An MEDT Study.
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- Molecules, 2024, v. 29, n. 20, p. 4892, doi. 10.3390/molecules29204892
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A New Insight into the Molecular Mechanism of the Reaction between 2-Methoxyfuran and Ethyl (Z)-3-phenyl-2-nitroprop-2-enoate: An Molecular Electron Density Theory (MEDT) Computational Study.
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- Molecules, 2024, v. 29, n. 20, p. 4876, doi. 10.3390/molecules29204876
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- Article
Energetic Aspects and Molecular Mechanism of 3-Nitro-substituted 2-Isoxazolines Formation via Nitrile N-Oxide [3+2] Cycloaddition: An MEDT Computational Study.
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- Molecules, 2024, v. 29, n. 13, p. 1, doi. 10.3390/molecules29133042
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- Article
On the Question of Zwitterionic Intermediates in the [3+2] Cycloaddition Reactions between Aryl Azides and Ethyl Propiolate.
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- Molecules, 2023, v. 28, n. 24, p. 8152, doi. 10.3390/molecules28248152
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- Article
Understanding the Molecular Mechanism of Thermal and LA-Catalysed Diels–Alder Reactions between Cyclopentadiene and Isopropyl 3-Nitroprop-2-Enate.
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- Molecules, 2023, v. 28, n. 14, p. 5289, doi. 10.3390/molecules28145289
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- Article
Fully Selective Synthesis of Spirocyclic-1,2-oxazine N-Oxides via Non-Catalysed Hetero Diels-Alder Reactions with the Participation of Cyanofunctionalysed Conjugated Nitroalkenes.
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- Molecules, 2023, v. 28, n. 12, p. 4586, doi. 10.3390/molecules28124586
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- Article
Full Regio- and Stereoselective Protocol for the Synthesis of New Nicotinoids via Cycloaddition Processes with the Participation of Trans-Substituted Nitroethenes: Comprehensive Experimental and MEDT Study.
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- Molecules, 2023, v. 28, n. 8, p. 3535, doi. 10.3390/molecules28083535
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- Article
Understanding the Regioselectivity and the Molecular Mechanism of [3 + 2] Cycloaddition Reactions between Nitrous Oxide and Conjugated Nitroalkenes: A DFT Computational Study.
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- Molecules, 2022, v. 27, n. 23, p. 8441, doi. 10.3390/molecules27238441
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- Article
On the Question of the Formation of Nitro-Functionalized 2,4-Pyrazole Analogs on the Basis of Nitrylimine Molecular Systems and 3,3,3-Trichloro-1-Nitroprop-1-Ene.
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- Molecules, 2022, v. 27, n. 23, p. 8409, doi. 10.3390/molecules27238409
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- Article
On the Question of Zwitterionic Intermediates in the [3 + 2] Cycloaddition Reactions between C-arylnitrones and Perfluoro 2-Methylpent-2-ene.
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- Molecules, 2021, v. 26, n. 23, p. 7147, doi. 10.3390/molecules26237147
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- Article
The Participation of 3,3,3-Trichloro-1-nitroprop-1-ene in the [3 + 2] Cycloaddition Reaction with Selected Nitrile N -Oxides in the Light of the Experimental and MEDT Quantum Chemical Study.
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- Molecules, 2021, v. 26, n. 22, p. 6774, doi. 10.3390/molecules26226774
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- Article
CHEMISTRY OF 2-ARYL-1-CYANO-1-NITROETHENES. PART I. SYNTHESIS AND PHYSICAL PROPERTIES.
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- Technical Transactions / Czasopismo Techniczne, 2018, v. 11, n. 2, p. 109, doi. 10.4467/2353737XCT.18.024.7997
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- Article
Mechanistic aspects of the synthesis of seven‐membered internal nitronates via stepwise [4 + 3] cycloaddition involving conjugated nitroalkenes: Molecular Electron Density Theory computational study.
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- Journal of Computational Chemistry, 2022, v. 43, n. 18, p. 1221, doi. 10.1002/jcc.26885
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- Article
Understanding the molecular mechanism of γ‐elimination of nitrous acid in the framework of the molecular electron density theory.
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- Journal of Computational Chemistry, 2021, v. 42, n. 17, p. 1195, doi. 10.1002/jcc.26532
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- Article
A density functional theory mechanistic study of thermal decomposition reactions of nitroethyl carboxylates: undermine of 'pericyclic' insight.
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- Heteroatom Chemistry, 2016, v. 27, n. 5, p. 279, doi. 10.1002/hc.21326
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- Article
New Insights into the Mechanism of Reduction of Tertiary Phosphine Oxides by Means of Phenylsilane.
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- Heteroatom Chemistry, 2015, v. 26, n. 6, p. 441, doi. 10.1002/hc.21279
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- Article
Analysis of the possibility and molecular mechanism of carbon dioxide consumption in the Diels-Alder processes.
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- Pure & Applied Chemistry, 2021, v. 93, n. 4, p. 427, doi. 10.1515/pac-2020-1009
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- Article
Synthesis of 1,2-oxazine N-oxides via noncatalyzed hetero-Diels–Alder reactions of nitroalkenes (microreview).
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- Chemistry of Heterocyclic Compounds, 2024, v. 60, n. 3/4, p. 121, doi. 10.1007/s10593-024-03304-4
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- Article
Recent progress in the synthesis of nitroisoxazoles and their hydrogenated analogs via [3+2] cycloaddition reactions (microreview).
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- Chemistry of Heterocyclic Compounds, 2023, v. 59, n. 11/12, p. 730, doi. 10.1007/s10593-024-03262-x
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- Article
On the question of selective protocol for the preparation of juglone via (4+2) cycloaddition involving 3-hydroxypyridazine: DFT mechanistic study.
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- Chemistry of Heterocyclic Compounds, 2023, v. 59, n. 3, p. 179, doi. 10.1007/s10593-023-03180-4
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- Article
Stepwise, zwitterionic course of hetero-Diels–Alder reaction between 1,2,4-triazine molecular systems and 2-cyclopropylidene-1,3-dimethylimidazoline.
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- Chemistry of Heterocyclic Compounds, 2022, v. 58, n. 4/5, p. 260, doi. 10.1007/s10593-022-03081-y
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- Article
On the question of the molecular mechanism of N-nitropyrazole rearrangement.
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- Chemistry of Heterocyclic Compounds, 2020, v. 56, n. 9, p. 1210, doi. 10.1007/s10593-020-02799-x
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- Article
Regio- and stereoselective synthesis of nitrofunctionalized 1,2-oxazolidine analogs of nicotine.
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- Chemistry of Heterocyclic Compounds, 2020, v. 56, n. 1, p. 120, doi. 10.1007/s10593-020-02631-6
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- Article
The influence of Lewis acid catalyst on the kinetic and molecular mechanism of nitrous acid elimination from 5-nitro-3-phenyl-4,5-dihydroisoxazole: DFT computational study.
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- Chemistry of Heterocyclic Compounds, 2018, v. 54, n. 12, p. 1172, doi. 10.1007/s10593-019-02410-y
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- Article
A unique example of noncatalyzed [3+2] cycloaddition involving (2 E)-3-aryl-2-nitroprop-2-enenitriles.
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- Chemistry of Heterocyclic Compounds, 2017, v. 53, n. 10, p. 1161, doi. 10.1007/s10593-017-2186-6
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- Article
Reaction of Aroylpyrrolobenzothiazinetriones with Electron‐Rich Dienophiles.
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- ChemistrySelect, 2021, v. 6, n. 24, p. 6295, doi. 10.1002/slct.202101990
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- Article
Unexpected Course of [ [2+3] ] Cycloaddition of 2-nitropropene to (Z)-C,N-diphenylnitrone.
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- Acta Chimica Slovenica, 2011, v. 58, n. 1, p. 41
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- Article
(3+2)‐Cyclization Reactions of Unsaturated Phosphonites with Aldehydes and Thioketones.
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- Chemistry - A European Journal, 2023, v. 29, n. 33, p. 1, doi. 10.1002/chem.202300806
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- Article
A DFT study on the molecular mechanism of the conjugated nitroalkenes polymerization process initiated by selected unsaturated nucleophiles.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2020, v. 139, n. 7, p. 1, doi. 10.1007/s00214-020-02627-7
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- Article
Unexpected molecular mechanism of trimethylsilyl bromide elimination from 2-(trimethylsilyloxy)-3-bromo-3-methyl-isoxazolidines.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2019, v. 138, n. 6, p. N.PAG, doi. 10.1007/s00214-019-2467-5
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- Article
Understanding the mechanism of the decomposition reaction of nitroethyl benzoate through the Molecular Electron Density Theory.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2017, v. 136, n. 11, p. 1, doi. 10.1007/s00214-017-2161-4
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- Article
A DFT Study on the Molecular Mechanism of Additions of Electrophilic and Nucleophilic Carbenes to Non-Enolizable Cycloaliphatic Thioketones †.
- Published in:
- Molecules, 2021, v. 26, n. 18, p. 5562, doi. 10.3390/molecules26185562
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- Article