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[3+2] Cycloaddition Reaction of C‐Phenyl‐N‐methyl Nitrone to Acyclic‐Olefin‐Bearing Electron‐Donating Substituent: A Molecular Electron Density Theory Study.
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- ChemistrySelect, 2018, v. 3, n. 28, p. 8373, doi. 10.1002/slct.201801528
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Exploring nonlinear optical properties in a hybrid dihydrogen phosphate system: an experimental and theoretical approach.
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- Journal of Molecular Modeling, 2024, v. 30, n. 5, p. 1, doi. 10.1007/s00894-024-05936-x
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Theoretical study of glycoluril by highly symmetrical magnesium oxide Mg<sub>12</sub>O<sub>12</sub> nanostructure: adsorption, detection, SERS enhancement, and electrical conductivity study.
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- Journal of Molecular Modeling, 2022, v. 28, n. 10, p. 1, doi. 10.1007/s00894-022-05332-3
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Unveiling the mechanism and selectivity of [3+2] cycloaddition reactions of benzonitrile oxide to ethyl trans-cinnamate, ethyl crotonate and trans-2-penten-1-ol through DFT analysis.
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- Journal of Molecular Modeling, 2020, v. 26, n. 10, p. 1, doi. 10.1007/s00894-020-04547-6
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Theoretical analysis of the regio- and stereoselective synthesis of spiroisoxazolines.
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- Journal of Molecular Modeling, 2020, v. 26, n. 6, p. 1, doi. 10.1007/s00894-020-04372-x
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A DFT-based exploration augmented by X-ray and NMR of the stereoselectivity in the 1,3-dipolar cycloaddition of 1-pyrroline-1-oxide to methyl cinnamate and benzylidene acetophenone.
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- Journal of Physical Organic Chemistry, 2010, v. 23, n. 12, p. 1187, doi. 10.1002/poc.1690
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A Molecular Electron Density Theory Study of the Lewis Acid Catalyzed [3+2] Cycloaddition Reactions of Nitrones with Nucleophilic Ethylenes.
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- European Journal of Organic Chemistry, 2022, v. 2022, n. 3, p. 1, doi. 10.1002/ejoc.202101417
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A molecular electron density theory study to understand the interplay of theory and experiment in nitrone-enone cycloaddition.
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- Journal of Chemical Sciences, 2020, v. 132, n. 1, p. 1, doi. 10.1007/s12039-020-01766-5
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Adsorption, Sensor Properties, AIM Analysis, Docking of an Anticancer Drug Benzamide on Nanocones: SERS, Solvent Effects and DFT Investigation.
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- Journal of Computational Biophysics & Chemistry, 2024, v. 23, n. 5, p. 641, doi. 10.1142/S2737416524500091
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Influence of Pyramidal M20 (M = Cu, Ag and Au) Clusters on SERS and Noncovalent Interactions toward Tuberculosis Drug Pretomanid (PTD): DFT Study.
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- Journal of Computational Biophysics & Chemistry, 2024, v. 23, n. 1, p. 47, doi. 10.1142/S2737416523500503
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A molecular electron density theory study for [3 + 2] cycloaddition reactions of 1‐pyrroline‐1‐oxide with disubstituted acetylenes leading to bicyclic 4‐isoxazolines.
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- International Journal of Quantum Chemistry, 2021, v. 121, n. 5, p. 1, doi. 10.1002/qua.26503
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A window to energy efficiency: tryptanthrin-malononitrile knoevenagel adduct as an ir window material.
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- Journal of Materials Science: Materials in Electronics, 2024, v. 35, n. 18, p. 1, doi. 10.1007/s10854-024-13018-0
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Unveiling the exclusive stereo and site selectivity in [3+2] cycloaddition reactions of a tricyclic strained alkene with nitrile oxides from the molecular electron density theory perspective.
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- Chemistry of Heterocyclic Compounds, 2023, v. 59, n. 3, p. 145, doi. 10.1007/s10593-023-03176-0
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Unveiling the cb‐type Intramolecular [3+2] Cycloaddition Reactions of Fluorinated Azomethine Ylides to Ester Carbonyls with a Molecular Electron Density Theory Perspective.
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- ChemistrySelect, 2022, v. 7, n. 24, p. 1, doi. 10.1002/slct.202201845
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Unveiling the Substituent Effects in the Stereochemistry of [3+2] Cycloaddition Reactions of Aryl‐ and Alkyldiazomethylphosphonates with Norbornadiene within a MEDT Perspective.
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- ChemistrySelect, 2021, v. 6, n. 39, p. 10722, doi. 10.1002/slct.202102942
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Unveiling the Chemo‐ and Regioselectivity of the [3+2] Cycloaddition Reaction between 4‐Chlorobenzonitrile Oxide and β‐Aminocinnamonitrile with a MEDT Perspective**.
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- ChemistrySelect, 2021, v. 6, n. 18, p. 4521, doi. 10.1002/slct.202100978
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Revealing the influence of tether length on the intramolecular [3 + 2] cycloaddition reactions of nitrones from the molecular electron density theory perspective.
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- Journal of Physical Organic Chemistry, 2024, v. 37, n. 1, p. 1, doi. 10.1002/poc.4574
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Unveiling the high regioselectivity and stereoselectivity within the synthesis of spirooxindolenitropyrrolidine: A molecular electron density theory perspective.
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- Journal of Physical Organic Chemistry, 2021, v. 34, n. 6, p. 1, doi. 10.1002/poc.4189
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Unveiling the high reactivity of strained dibenzocyclooctyne in [3 + 2] cycloaddition reactions with diazoalkanes through the molecular electron density theory.
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- Journal of Physical Organic Chemistry, 2020, v. 33, n. 11, p. 1, doi. 10.1002/poc.4100
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A molecular electron density theory study of the Grignard reagent‐mediated regioselective direct synthesis of 1,5‐disubstituted‐1,2,3‐triazoles.
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- Journal of Physical Organic Chemistry, 2020, v. 33, n. 8, p. 1, doi. 10.1002/poc.4062
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Unveiling the regioselective synthesis of antiviral 5-isoxazol-5-yl-2'-deoxyuridines from the perspective of a molecular electron density theory.
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- Journal of the Serbian Chemical Society, 2022, v. 87, n. 6, p. 707, doi. 10.2298/JSC211014106A
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Understanding the regio- and diastereoselective synthesis of a potent antinociceptive isoxazolidine from C-(pyridin-3-yl)-N-phenylnitrone in the light of molecular electron density theory.
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- Journal of the Serbian Chemical Society, 2020, v. 85, n. 6, p. 765, doi. 10.2298/JSC190914136A
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Understanding the regio- and diastereoselective synthesis of a potent antinociceptive isoxazolidine from C-(pyridin-3-yl)-N-phenyl nitrone in the light of molecular electron density theory.
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- Journal of the Serbian Chemical Society, 2020, n. 0, p. 1, doi. 10.2298/JSC190914136A
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Understanding the regio- and diastereoselective synthesis of a potent antinociceptive isoxazolidine from C-(pyridin-3-yl)-N-phenyl nitrone in the light of molecular electron density theory.
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- Journal of the Serbian Chemical Society, 2020, n. 0, p. 1, doi. 10.2298/JSC190914136A
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Diastereoselective green synthesis of pyrrolo[1,2-a]quinolines via [3+2] cycloaddition reaction: insights from molecular electron density theory.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2023, v. 142, n. 12, p. 1, doi. 10.1007/s00214-023-03068-8
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Unveiling the mechanism, selectivity, solvent and temperature effects on the [3 + 2] cycloaddition reaction of N-methyl-C-(2-furyl) nitrone with maleimide derivatives from the molecular electron density theory perspective.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2023, v. 142, n. 4, p. 1, doi. 10.1007/s00214-023-02972-3
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Unveiling [3 + 2] cycloaddition reactions of benzonitrile oxide and diphenyl diazomethane to cyclopentene and norbornene: a molecular electron density theory perspective.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2021, v. 140, n. 8, p. 1, doi. 10.1007/s00214-021-02811-3
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Insights into the mechanism and regioselectivity of the [3 + 2] cycloaddition reactions of cyclic nitrone to nitrile functions with a molecular electron density theory perspective.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2021, v. 140, n. 1, p. 1, doi. 10.1007/s00214-020-02703-y
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A Molecular Electron Density Theory Study of the Chemoselectivity, Regioselectivity, and Diastereofacial Selectivity in the Synthesis of an Anticancer Spiroisoxazoline derived from α-Santonin.
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- Molecules, 2019, v. 24, n. 5, p. 832, doi. 10.3390/molecules24050832
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