Works matching Aromaticity
Results: 3396
Can Anti‐Aufbau DFT Calculations Estimate Singlet Excited State Aromaticity? Correspondence on "Dibenzoarsepins: Planarization of 8π‐Electron System in the Lowest Singlet Excited State".
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- Angewandte Chemie, 2020, v. 132, n. 24, p. 9312, doi. 10.1002/ange.202001934
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Unveiling Möbius/Hückel Topology and Aromaticity in A Core‐Expanded [10]Annulene at Different Oxidation States.
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- Angewandte Chemie, 2024, v. 136, n. 11, p. 1, doi. 10.1002/ange.202320144
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Hückel‐ and Baird‐Type Global Aromaticity in a 3D Fully Conjugated Molecular Cage.
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- Angewandte Chemie, 2022, v. 134, n. 9, p. 1, doi. 10.1002/ange.202115571
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New Insights into Aromaticity through Novel Delta Polynomials and Delta Aromatic Indices.
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- Symmetry (20738994), 2024, v. 16, n. 4, p. 391, doi. 10.3390/sym16040391
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Diagnosis of the σ-, π- and (σ+π)-Aromaticity by the Shape of the NICS<sub>zz</sub>-Scan Curves and Symmetry-Based Selection Rules.
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- Symmetry (20738994), 2010, v. 2, n. 1, p. 284, doi. 10.3390/sym2010284
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Local aromaticity in polyacenes manifested by individual proton and carbon shieldings: DFT mapping of aromaticity.
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- Magnetic Resonance in Chemistry, 2020, v. 58, n. 2, p. 145, doi. 10.1002/mrc.4967
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Adaptive σ‐Aromaticity in an Unsaturated Three‐Membered Ring.
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- Chemistry - An Asian Journal, 2020, v. 15, n. 21, p. 3444, doi. 10.1002/asia.202000900
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Achieving Adaptive Aromaticity in Cyclo[10]carbon by Screening Cyclo[n]carbon (n=8−24).
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- Chemistry - An Asian Journal, 2020, v. 15, n. 14, p. 2187, doi. 10.1002/asia.202000528
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Front Cover: σ‐Aromaticity in a Fully Unsaturated Ring (Chem. Asian J. 23/2018).
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- Chemistry - An Asian Journal, 2018, v. 13, n. 23, p. 3554, doi. 10.1002/asia.201801562
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σ‐Aromaticity in a Fully Unsaturated Ring.
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- Chemistry - An Asian Journal, 2018, v. 13, n. 23, p. 3691, doi. 10.1002/asia.201801279
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Identification of local benzenoid aromaticity and global aromaticity of polycyclic aromatic hydrocarbons (PAHs) via the corresponding ring current effects in ¹H NMR spectroscopy.
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- ARKIVOC: Online Journal of Organic Chemistry, 2024, v. 2024, p. 1, doi. 10.24820/ark.5550190.p012.263
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吲哚咔唑类异构体芳香性的研究.
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- Journal of Molecular Science, 2023, v. 39, n. 4, p. 318, doi. 10.13563/j.cnki.jmolsci.2022.11.003
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Aromaticity of corazulenic fullerenes.
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- Journal of Mathematical Chemistry, 2009, v. 45, n. 2, p. 330, doi. 10.1007/s10910-008-9409-0
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Substituent Effect of Nitro Group on Aromaticity of Carbazole Rings.
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- Chemistry of Heterocyclic Compounds, 2014, v. 50, n. 9, p. 1244, doi. 10.1007/s10593-014-1586-0
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Theoretical Study on the Structures, Electronic Properties, and Aromaticity of Thiophene Analogues of Anti-Kekulene.
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- Chemistry (2624-8549), 2022, v. 4, n. 4, p. 1546, doi. 10.3390/chemistry4040102
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Connecting and combining rules of aromaticity. Towards a unified theory of aromaticity.
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- WIREs: Computational Molecular Science, 2019, v. 9, n. 4, p. N.PAG, doi. 10.1002/wcms.1404
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A universal scale of aromaticity for π-organic compounds.
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- Journal of Computational Chemistry, 2010, v. 31, n. 5, p. 917, doi. 10.1002/jcc.21377
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Tuning aromaticity in trigonal alkaline earth metal clusters and their alkali metal salts.
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- Journal of Computational Chemistry, 2009, v. 30, n. 16, p. 2764, doi. 10.1002/jcc.21291
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On the performance of some aromaticity indices: A critical assessment using a test set.
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- Journal of Computational Chemistry, 2008, v. 29, n. 10, p. 1543, doi. 10.1002/jcc.20914
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Nucleus-Independent Chemical Shift Criterion for Aromaticity in Some of the Corannulene Derivatives as Carbon Nanostructure: Effect of Substituent Groups on Aromaticity.
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- Polycyclic Aromatic Compounds, 2016, v. 36, n. 2, p. 120, doi. 10.1080/10406638.2014.948966
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Expansion of Magnetic Aromaticity Criteria to Multilayer Structures: Magnetic Response and Spherical Aromaticity of Matryoshka‐Like Cluster [Sn@Cu<sub>12</sub>@Sn<sub>20</sub>]<sup>12−</sup>.
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- Chemistry - A European Journal, 2020, v. 26, n. 10, p. 2263, doi. 10.1002/chem.201905088
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Front Cover: Excited‐State Topology Modifications of the Dihydroazulene Photoswitch Through Aromaticity (ChemPhotoChem 8/2019).
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- ChemPhotoChem, 2019, v. 3, n. 8, p. 575, doi. 10.1002/cptc.201900183
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Excited‐State Topology Modifications of the Dihydroazulene Photoswitch Through Aromaticity.
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- ChemPhotoChem, 2019, v. 3, n. 8, p. 619, doi. 10.1002/cptc.201900088
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Assessment of Clar's aromatic π-sextet rule by means of PDI, NICS and HOMA indicators of local aromaticity.
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- Journal of Physical Organic Chemistry, 2005, v. 18, n. 8, p. 785, doi. 10.1002/poc.938
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Usefulness of the σ‐Aromaticity and σ‐Antiaromaticity Concepts for Clusters and Solid‐State Compounds.
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- Chemistry - A European Journal, 2018, v. 24, n. 2, p. 292, doi. 10.1002/chem.201702035
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[32]π Fused Core-Modified Heptaphyrin with Möbius Aromaticity.
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- Chemistry - A European Journal, 2016, v. 22, n. 12, p. 3942, doi. 10.1002/chem.201505116
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Too Persistent to Resist: Aromaticity in 16e Osmapentalene Radicals Survives Regardless of Redox.
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- Chemistry (2624-8549), 2025, v. 7, n. 1, p. 22, doi. 10.3390/chemistry7010022
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Aromaticity in the Spectroscopic Spotlight of Hexaphyrins.
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- Chemistry - A European Journal, 2024, v. 30, n. 52, p. 1, doi. 10.1002/chem.202401933
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Spectroscopic Manifestations of (Anti)Aromaticity in Oxidized and Reduced Porphyrin and Norcorrole.
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- Chemistry - A European Journal, 2024, v. 30, n. 46, p. 1, doi. 10.1002/chem.202401741
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Aromaticity in Semi‐Condensed Figure‐Eight Molecules.
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- Chemistry - A European Journal, 2024, v. 30, n. 35, p. 1, doi. 10.1002/chem.202401016
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Aromaticity in the Electronic Ground and Lowest Triplet States of Molecules with Fused Thiophene Rings.
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- Chemistry - A European Journal, 2024, v. 30, n. 20, p. 1, doi. 10.1002/chem.202303724
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Aromaticity and Magnetic Behavior in Benzenoids: Unraveling Ring Current Combinations.
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- Chemistry - A European Journal, 2024, v. 30, n. 1, p. 1, doi. 10.1002/chem.202302415
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Electronic Structure and Aromaticity of an Unusual Cyclo[18]carbon Precursor, C<sub>18</sub>Br<sub>6</sub>.
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- Chemistry - A European Journal, 2023, v. 29, n. 31, p. 1, doi. 10.1002/chem.202300348
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Frontispiece: Photochemistry Driven by Excited‐State Aromaticity Gain or Antiaromaticity Relief.
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- Chemistry - A European Journal, 2023, v. 29, n. 19, p. 1, doi. 10.1002/chem.202381961
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Cover Feature: Photochemistry Driven by Excited‐State Aromaticity Gain or Antiaromaticity Relief (Chem. Eur. J. 19/2023).
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- Chemistry - A European Journal, 2023, v. 29, n. 19, p. 1, doi. 10.1002/chem.202300634
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- Article
Photochemistry Driven by Excited‐State Aromaticity Gain or Antiaromaticity Relief.
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- Chemistry - A European Journal, 2023, v. 29, n. 19, p. 1, doi. 10.1002/chem.202203748
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Synthesis and Structures of 5-(2,4-Dichlorophenyl)-1,3,4-Oxadiazole-2-Thione Alkyl Derivatives and Estimation of the Aromaticity of the Oxadiazole Ring.
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- Journal of Structural Chemistry, 2024, v. 65, n. 11, p. 2317, doi. 10.1134/S0022476624110179
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Aromaticity and Induced Current Study of C<sub>8</sub>H<sub>8</sub><sup>(n+2)</sup> (n = −6, −4, −2, 0): In the Viewpoint of Huckel's Rule.
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- Journal of Structural Chemistry, 2019, v. 60, n. 9, p. 1361, doi. 10.1134/S0022476619090014
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Aromaticity of Bare Iridium Trimers and Ir<sub>3</sub>M<sup>0/+</sup> and Ir3M2+/3+ (M = Li, Na, K, and Be, Ca) Bimetallic Clusters.
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- Journal of Structural Chemistry, 2018, v. 59, n. 5, p. 1032, doi. 10.1134/S0022476618050049
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Theoretical predictions on the structure and d-AO-based aromaticity of ReF, ReFX (X = Li, Na, K), and ReFY (Y = Be, Mg, Ca) clusters.
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- Journal of Structural Chemistry, 2017, v. 58, n. 7, p. 1275, doi. 10.1134/S0022476617070034
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Probing the electronic structure and aromaticity in WF, WFX (X = Li, Na, K), AND WFY (Y = Be, Mg, Ca) clusters.
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- Journal of Structural Chemistry, 2017, v. 58, n. 7, p. 1286, doi. 10.1134/S0022476617070046
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Conformational flexibility and aromaticity of azanaphthalenes.
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- Journal of Structural Chemistry, 2006, v. 47, n. 5, p. 823, doi. 10.1007/s10947-006-0397-2
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Removal of COD, aromaticity and color of a pretreated chemical producing industrial wastewater: a comparison between adsorption, ozonation, and advanced oxidation processes.
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- Turkish Journal of Chemistry, 2021, v. 45, n. 3, p. 551, doi. 10.3906/kim-2010-48
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Theoretical Studies Regarding the Aromaticity of Some Non-Planar Circulenes.
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- Zeitschrift für Physikalische Chemie, 2016, v. 230, n. 2, p. 285, doi. 10.1515/zpch-2014-0651
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A Critical Assessment of the Performance of Magnetic and Electronic Indices of Aromaticity.
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- Symmetry (20738994), 2010, v. 2, n. 2, p. 1156, doi. 10.3390/sym2021156
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Aromaticity in pericondensed cyclopenta-fused polycyclic aromatic hydrocarbons determined by density functional theory nucleus-independent chemical shifts and the Y-rule — Implications in oil asphaltene stability.
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- Canadian Journal of Chemistry, 2009, v. 87, n. 10, p. 1280, doi. 10.1139/V09-052
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Tests for aromaticity applied to the pentalenoquinones — A computational study.
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- Canadian Journal of Chemistry, 2001, v. 79, n. 10, p. 1492, doi. 10.1139/cjc-79-10-1492
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Facile Synthesis and Global Aromaticity of Aza‐Superbenzene and Aza‐Supernaphthalene at Different Oxidation States.
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- Angewandte Chemie, 2024, v. 136, n. 44, p. 1, doi. 10.1002/ange.202407990
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Computational study on reactivity, aromaticity, and absorption spectra of chrysene: effect of BN doping and substituents.
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- Pure & Applied Chemistry, 2024, v. 96, n. 5, p. 767, doi. 10.1515/pac-2023-1105
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Antiaromatic ions and their value in quantifying aromaticity, as probes of delocalization, and potential as stable diradicals.
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- Pure & Applied Chemistry, 2012, v. 84, n. 4, p. 1101, doi. 10.1351/PAC-CON-11-09-08
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