Works matching DE "HYPERCONJUGATION"
Results: 94
The Possible Aromatic Conjugation via the Different Edges of (Car)Borane Clusters: Can the Relationship Between 3D and 2D Aromatic Systems Be Reconciled?
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- Chemistry - A European Journal, 2024, v. 30, n. 61, p. 1, doi. 10.1002/chem.202402970
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What Determines the Lewis Acidity of a Bismuthane? Towards Bi‐Based FLPs.
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- Chemistry - A European Journal, 2024, v. 30, n. 57, p. 1, doi. 10.1002/chem.202402154
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Electrostatic CH−π Interactions Can Override Fluorine Gauche Effects To Exert Conformational Control.
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- Chemistry - A European Journal, 2023, v. 29, n. 6, p. 1, doi. 10.1002/chem.202203139
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Chalcogen Bonding with Diaryl Ditellurides: Evidence from Solid State and Solution Studies.
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- Chemistry - A European Journal, 2022, v. 28, n. 25, p. 1, doi. 10.1002/chem.202200395
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MIDA‐ and TIDA‐Boronates Stabilize α‐Radicals Through B−N Hyperconjugation.
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- Angewandte Chemie, 2023, v. 135, n. 40, p. 1, doi. 10.1002/ange.202309566
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A Linear C=Ge=C Heteroallene with a Di‐coordinated Germanium Atom.
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- Angewandte Chemie, 2023, v. 135, n. 24, p. 1, doi. 10.1002/ange.202302836
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Editing Light Emission with Stable Crystalline Covalent Organic Frameworks via Wall Surface Perturbation.
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- Angewandte Chemie, 2021, v. 133, n. 35, p. 19568, doi. 10.1002/ange.202107179
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The Influence of C(sp<sup>3</sup>)H–Selenium Interactions on the <sup>77</sup>Se NMR Quantification of the π‐Accepting Properties of Carbenes.
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- Angewandte Chemie, 2020, v. 132, n. 49, p. 22212, doi. 10.1002/ange.202010744
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Control of Excited‐State Conformations in B,N‐Acenes.
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- Angewandte Chemie, 2019, v. 131, n. 13, p. 4303, doi. 10.1002/ange.201814104
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The Comparability of Pt to Pt‐Ru in Catalyzing the Hydrogen Oxidation Reaction for Alkaline Polymer Electrolyte Fuel Cells Operated at 80 °C.
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- Angewandte Chemie, 2019, v. 131, n. 5, p. 1456, doi. 10.1002/ange.201812662
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Exceptionally Long C−C Single Bonds in Diamino‐o‐carborane as Induced by Negative Hyperconjugation.
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- Angewandte Chemie, 2019, v. 131, n. 5, p. 1411, doi. 10.1002/ange.201812555
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Theoretical Study of the Solvent Effect on Elimination Reactions: Hybrid-DFT Study and NBO Analysis.
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- Journal of Structural Chemistry, 2024, v. 65, n. 5, p. 929, doi. 10.1134/S002247662405007X
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Molecular Structure, Vibrational Analysis, Hyperpolarizability and NBO Analysis of 3-Methyl-Picolinic Acid Using SQM Calculations.
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- Journal of Structural Chemistry, 2018, v. 59, n. 5, p. 1022, doi. 10.1134/S0022476618050037
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A theoretical study of keto-enol isomerism and internal rotation in the HSalen molecule, N,N′-ethylene-bis(salicylidenimine) - schiff base.
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- Journal of Structural Chemistry, 2011, v. 52, n. 1, p. 16, doi. 10.1134/S0022476611010033
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Hyperconjugation and Hydrogen Bonding Interactions Effect with the Nonlinear Optical Features of 4-Chlorophenoxy Acetonitrile: An Experimental and DFT Methodology.
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- Polycyclic Aromatic Compounds, 2024, v. 44, n. 5, p. 2887, doi. 10.1080/10406638.2023.2225677
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On the Harmonic Oscillator Model of Electron Delocalization (HOMED) Index and its Application to Heteroatomic Π-Electron Systems.
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- Symmetry (20738994), 2010, v. 2, n. 3, p. 1485, doi. 10.3390/sym2031485
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Theoretical study of H bonds of HArF and HF with isoelectronic systems N<sub>2</sub>, CO, and BF.
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- Canadian Journal of Chemistry, 2010, v. 88, n. 4, p. 352, doi. 10.1139/V10-004
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Variation of the ease of α-sulfonyl carbanion formation with the orientation of different β-substituents: Experimental evidence for the generality of negative hyperconjugation as an important substituent effect.
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- Canadian Journal of Chemistry, 2003, v. 81, n. 6, p. 638, doi. 10.1139/v03-015
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An ab initio study of conformations and sigmatropic shifts in triazene and its mono-, di-, and trimethyl derivatives.
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- Canadian Journal of Chemistry, 2002, v. 80, n. 5, p. 447, doi. 10.1139/v02-049
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Hyperconjugation in hydrocarbons: Not just a "mild sort of conjugation".
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- Pure & Applied Chemistry, 2013, v. 85, n. 5, p. 921, doi. 10.1351/PAC-CON-13-01-03
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Theoretical study on dithieno[3,2- b:2′,3′- d]phosphole derivatives: high-efficiency blue-emitting materials with ambipolar semiconductor behavior.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2010, v. 127, n. 4, p. 419, doi. 10.1007/s00214-010-0730-x
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Car-Parrinello molecular dynamics simulations and EPR property calculations on aqueous ubisemiquinone radical anion.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2008, v. 119, n. 5/6, p. 477, doi. 10.1007/s00214-007-0408-1
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Extremely localized molecular orbitals: theory and applications.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2007, v. 117, n. 5/6, p. 685, doi. 10.1007/s00214-006-0200-7
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Isomerization reactions of RSNO (R=H, C<sub> n </sub>H<sub>2 n+1</sub> n≤ 4).
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2007, v. 117, n. 1, p. 145, doi. 10.1007/s00214-006-0164-7
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The role of hyperconjugative π-aromaticity in the enhanced acidity of methyl-, silyl and germylcyclopentadienes.
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- Molecular Physics, 2010, v. 108, n. 19/20, p. 2467, doi. 10.1080/00268976.2010.502138
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Effect of Hyperconjugation on Photovoltaic Performance in Pseduo-2D Perylene Diimide Derivatives.
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- Chinese Journal of Chemistry, 2024, v. 42, n. 7, p. 725, doi. 10.1002/cjoc.202300616
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Conformational stability and rotational energy barrier of RC-CR dimers: hyperconjugation versus steric effect.
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- Journal of the Iranian Chemical Society, 2012, v. 9, n. 2, p. 205, doi. 10.1007/s13738-011-0042-7
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Delocalization in valence bond—Hyperconjugation.
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- International Journal of Quantum Chemistry, 2009, v. 109, n. 11, p. 2426, doi. 10.1002/qua.22018
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Structural formulas and explanation in organic chemistry.
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- Foundations of Chemistry, 2008, v. 10, n. 2, p. 117, doi. 10.1007/s10698-007-9033-2
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Influence of stereoelectronic effects on the <sup>1</sup>J<sub>C─F</sub> spin–spin coupling constant in fluorinated heterocyclic compounds.
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- Magnetic Resonance in Chemistry, 2019, v. 57, n. 7, p. 373, doi. 10.1002/mrc.4854
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The Homopolyatomic Sulfur Cation [S 20 ] 2+.
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- Inorganics, 2025, v. 13, n. 1, p. 23, doi. 10.3390/inorganics13010023
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Probing Hyperconjugative Aromaticity of Monosubstituted Cyclopentadienes.
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- Asian Journal of Organic Chemistry, 2019, v. 8, n. 1, p. 123, doi. 10.1002/ajoc.201800680
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Predicting an Antiaromatic Benzene Ring in the Ground State Caused by Hyperconjugation.
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- Chemistry - An Asian Journal, 2019, v. 14, n. 23, p. 4309, doi. 10.1002/asia.201901261
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Front Cover: Probing the Most Aromatic and Antiaromatic Pyrrolium Rings by Maximizing Hyperconjugation and Push–Pull Effect (Chem. Asian J. 11/2018).
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- Chemistry - An Asian Journal, 2018, v. 13, n. 11, p. 1386, doi. 10.1002/asia.201800356
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Probing the Most Aromatic and Antiaromatic Pyrrolium Rings by Maximizing Hyperconjugation and Push–Pull Effect.
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- Chemistry - An Asian Journal, 2018, v. 13, n. 11, p. 1419, doi. 10.1002/asia.201800179
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Filling the Gap within 10‐Membered Heteroenediynes: Thiaenediyne – An Experimental and Theoretical Study.
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- European Journal of Organic Chemistry, 2024, v. 27, n. 47, p. 1, doi. 10.1002/ejoc.202401127
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An outstanding heat-resistant hydroxyl boron-silicone oil with hyperconjugation action in backbone.
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- Journal of Thermal Analysis & Calorimetry, 2018, v. 132, n. 3, p. 1825, doi. 10.1007/s10973-018-7065-6
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The effects of σ<sub>C-Se</sub>-π hyperconjugation in 1-methoxy- and 1-nitro-4-[(phenylselanyl)methyl]benzene.
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- Acta Crystallographica Section C: Structural Chemistry, 2014, v. 70, n. 12, p. 1109, doi. 10.1107/S2053229614022724
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Induktiver Effekt und Hyperkonjugation bei Radikalkettenreaktionen: Neue Lerngelegenheit zur Erarbeitung von Schlüsselkonzepten der Organischen Chemie.
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- Chemkon - Chemie Konkret, 2023, v. 30, n. 7, p. 300, doi. 10.1002/ckon.202100090
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Konzepte verstehen anhand vergleichender qualitativer Kinetik‐Messungen bei S<sub>N</sub>1‐Reaktionen: Die Wirkung von Mesomerie und Hyperkonjugation im Vergleich.
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- Chemkon - Chemie Konkret, 2021, v. 28, n. 2, p. 74, doi. 10.1002/ckon.202000050
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Unveiling the effect of 2D silagraphene structural diversity on electronic properties: DFT, DOS, and ELF studies.
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- Journal of Molecular Modeling, 2022, v. 28, n. 9, p. 1, doi. 10.1007/s00894-022-05251-3
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A theoretical investigation on the conformation and the interaction of CHFOCFCHF (desflurane II) with one water molecule.
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- Journal of Molecular Modeling, 2013, v. 19, n. 11, p. 5045, doi. 10.1007/s00894-013-2016-4
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Synthesis and reactivity of 3-(2,2-dimethylhydrazono)-5-R-cyclopentane-1,1,2,2-tetracarbonitriles.
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- Russian Journal of General Chemistry, 2015, v. 85, n. 10, p. 2285, doi. 10.1134/S1070363215100114
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Substituent Effects in P- and As-centered Radical Cations.
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- Russian Journal of General Chemistry, 2003, v. 73, n. 6, p. 880, doi. 10.1023/A:1026392516092
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EFFECT OF META SUBSTITUTION OF METHYL GROUP ON 2-HYDROXYPYRIDINE: SPECTROSCOPIC INVESTIGATION.
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- Lithuanian Journal of Physics, 2020, v. 60, n. 1, p. 35, doi. 10.3952/physics.v60i1.4162
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Anion‐Exchange Membranes for Alkaline Fuel‐Cell Applications: The Effects of Cations.
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- ChemSusChem, 2018, v. 11, n. 1, p. 58, doi. 10.1002/cssc.201701600
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Stereoelectronic Effects in Multivicinal Fluoroalkanes and Conformational Implications.
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- European Journal of Organic Chemistry, 2020, v. 2020, n. 4, p. 501, doi. 10.1002/ejoc.201901780
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Cover Feature: Synthesis and Reactivity of α‐Haloglycine Esters: Hyperconjugation in Action (Eur. J. Org. Chem. 39/2019).
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- European Journal of Organic Chemistry, 2019, v. 2019, n. 39, p. 6580, doi. 10.1002/ejoc.201901447
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Synthesis and Reactivity of α‐Haloglycine Esters: Hyperconjugation in Action.
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- European Journal of Organic Chemistry, 2019, v. 2019, n. 39, p. 6597, doi. 10.1002/ejoc.201901033
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Synthesis and conformational features of sym N,N′,N″-triarylguanidines.
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- Journal of Chemical Sciences, 2010, v. 122, n. 2, p. 157, doi. 10.1007/s12039-010-0017-8
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