Works matching Aromaticity

Results: 3632

Can Anti‐Aufbau DFT Calculations Estimate Singlet Excited State Aromaticity? Correspondence on "Dibenzoarsepins: Planarization of 8π‐Electron System in the Lowest Singlet Excited State".

Published in:

Angewandte Chemie, 2020, v. 132, n. 24, p. 9312, doi. 10.1002/ange.202001934

By:

Karadakov, Peter B.;
Saito, Shohei

Publication type:

Article

Substituent Effect of Nitro Group on Aromaticity of Carbazole Rings.

Published in:

Chemistry of Heterocyclic Compounds, 2014, v. 50, n. 9, p. 1244, doi. 10.1007/s10593-014-1586-0

By:

Radula-Janik, K.;
Kopka, K.;
Kupka, T.;
Ejsmont, K.

Publication type:

Article

吲哚咔唑类异构体芳香性的研究.

Published in:

Journal of Molecular Science, 2023, v. 39, n. 4, p. 318, doi. 10.13563/j.cnki.jmolsci.2022.11.003

By:

艾合买提·沙塔尔;
阿布力克木·克热木

Publication type:

Article

Front Cover: Excited‐State Topology Modifications of the Dihydroazulene Photoswitch Through Aromaticity (ChemPhotoChem 8/2019).

Published in:

ChemPhotoChem, 2019, v. 3, n. 8, p. 575, doi. 10.1002/cptc.201900183

By:

Skov, Anders B.;
Ree, Nicolai;
Gertsen, Anders S.;
Chabera, Pavel;
Uhlig, Jens;
Lissau, Jonas S.;
Nucci, Luigi;
Pullerits, Tõnu;
Mikkelsen, Kurt V.;
Brøndsted Nielsen, Mogens;
Sølling, Theis I.;
Hansen, Thorsten

Publication type:

Article

Excited‐State Topology Modifications of the Dihydroazulene Photoswitch Through Aromaticity.

Published in:

ChemPhotoChem, 2019, v. 3, n. 8, p. 619, doi. 10.1002/cptc.201900088

By:

Skov, Anders B.;
Ree, Nicolai;
Gertsen, Anders S.;
Chabera, Pavel;
Uhlig, Jens;
Lissau, Jonas S.;
Nucci, Luigi;
Pullerits, Tõnu;
Mikkelsen, Kurt V.;
Brøndsted Nielsen, Mogens;
Sølling, Theis I.;
Hansen, Thorsten

Publication type:

Article

Theoretical Study on the Structures, Electronic Properties, and Aromaticity of Thiophene Analogues of Anti-Kekulene.

Published in:

Chemistry (2624-8549), 2022, v. 4, n. 4, p. 1546, doi. 10.3390/chemistry4040102

By:

Hashimoto, Shingo;
Tahara, Kazukuni

Publication type:

Article

Diagnosis of the σ-, π- and (σ+π)-Aromaticity by the Shape of the NICSzz-Scan Curves and Symmetry-Based Selection Rules.

Published in:

Symmetry (20738994), 2010, v. 2, n. 1, p. 284, doi. 10.3390/sym2010284

By:

Tsipis, Athanassios C.;
Depastas, Ioannis G.;
Tsipis, Constantinos A.

Publication type:

Article

Nucleus-Independent Chemical Shift Criterion for Aromaticity in Some of the Corannulene Derivatives as Carbon Nanostructure: Effect of Substituent Groups on Aromaticity.

Published in:

Polycyclic Aromatic Compounds, 2016, v. 36, n. 2, p. 120, doi. 10.1080/10406638.2014.948966

By:

Reisi-Vanani, A.;
Faghih, S.

Publication type:

Article

New Insights into Aromaticity through Novel Delta Polynomials and Delta Aromatic Indices.

Published in:

Symmetry (20738994), 2024, v. 16, n. 4, p. 391, doi. 10.3390/sym16040391

By:

Balasubramanian, Krishnan

Publication type:

Article

A universal scale of aromaticity for π-organic compounds.

Published in:

Journal of Computational Chemistry, 2010, v. 31, n. 5, p. 917, doi. 10.1002/jcc.21377

By:

ALONSO, MERCEDES;
HERRADÓN, BERNARDO

Publication type:

Article

Tuning aromaticity in trigonal alkaline earth metal clusters and their alkali metal salts.

Published in:

Journal of Computational Chemistry, 2009, v. 30, n. 16, p. 2764, doi. 10.1002/jcc.21291

By:

JIMÉNEZ-HALLA, J. OSCAR C.;
MATITO, EDUARD;
BLANCAFORT, LLUÍS;
ROBLES, JUVENCIO;
SOLÀ, MIQUEL

Publication type:

Article

On the performance of some aromaticity indices: A critical assessment using a test set.

Published in:

Journal of Computational Chemistry, 2008, v. 29, n. 10, p. 1543, doi. 10.1002/jcc.20914

By:

Feixas, Ferran;
Matito, Eduard;
Poater, Jordi;
Solà, Miquel

Publication type:

Article

Expansion of Magnetic Aromaticity Criteria to Multilayer Structures: Magnetic Response and Spherical Aromaticity of Matryoshka‐Like Cluster [Sn@Cu12@Sn20]12−.

Published in:

Chemistry - A European Journal, 2020, v. 26, n. 10, p. 2263, doi. 10.1002/chem.201905088

By:

Kulichenko, Maksim;
Fedik, Nikita;
Boldyrev, Alexander;
Muñoz‐Castro, Alvaro

Publication type:

Article

Usefulness of the σ‐Aromaticity and σ‐Antiaromaticity Concepts for Clusters and Solid‐State Compounds.

Published in:

Chemistry - A European Journal, 2018, v. 24, n. 2, p. 292, doi. 10.1002/chem.201702035

By:

Popov, Ivan A.;
Starikova, Alyona A.;
Steglenko, Dmitry V.;
Boldyrev, Alexander I.

Publication type:

Article

Unveiling Möbius/Hückel Topology and Aromaticity in A Core‐Expanded [10]Annulene at Different Oxidation States.

Published in:

Angewandte Chemie, 2024, v. 136, n. 11, p. 1, doi. 10.1002/ange.202320144

By:

Wu, Shaofei;
Han, Yi;
Ni, Yong;
Hou, Xudong;
Wei, Haipeng;
Li, Zhengtao;
Wu, Jishan

Publication type:

Article

Hückel‐ and Baird‐Type Global Aromaticity in a 3D Fully Conjugated Molecular Cage.

Published in:

Angewandte Chemie, 2022, v. 134, n. 9, p. 1, doi. 10.1002/ange.202115571

By:

Wu, Shaofei;
Ni, Yong;
Han, Yi;
Hou, Xudong;
Wang, Congyong;
Hu, Wenping;
Wu, Jishan

Publication type:

Article

Identification of local benzenoid aromaticity and global aromaticity of polycyclic aromatic hydrocarbons (PAHs) via the corresponding ring current effects in ¹H NMR spectroscopy.

Published in:

ARKIVOC: Online Journal of Organic Chemistry, 2024, v. 2024, p. 1, doi. 10.24820/ark.5550190.p012.263

By:

Kleinpeter, Erich;
Koch, Andreas

Publication type:

Article

Local aromaticity in polyacenes manifested by individual proton and carbon shieldings: DFT mapping of aromaticity.

Published in:

Magnetic Resonance in Chemistry, 2020, v. 58, n. 2, p. 145, doi. 10.1002/mrc.4967

By:

Gajda, Magdalena;
Gajda, Łukasz;
Kupka, Teobald;
Kar, Tapas

Publication type:

Article

Connecting and combining rules of aromaticity. Towards a unified theory of aromaticity.

Published in:

WIREs: Computational Molecular Science, 2019, v. 9, n. 4, p. N.PAG, doi. 10.1002/wcms.1404

By:

Solà, Miquel

Publication type:

Article

Adaptive σ‐Aromaticity in an Unsaturated Three‐Membered Ring.

Published in:

Chemistry - An Asian Journal, 2020, v. 15, n. 21, p. 3444, doi. 10.1002/asia.202000900

By:

Huang, Yuanyuan;
Dai, Chenshu;
Zhu, Jun

Publication type:

Article

Achieving Adaptive Aromaticity in Cyclo[10]carbon by Screening Cyclo[n]carbon (n=8−24).

Published in:

Chemistry - An Asian Journal, 2020, v. 15, n. 14, p. 2187, doi. 10.1002/asia.202000528

By:

Dai, Chenshu;
Chen, Dandan;
Zhu, Jun

Publication type:

Article

Front Cover: σ‐Aromaticity in a Fully Unsaturated Ring (Chem. Asian J. 23/2018).

Published in:

Chemistry - An Asian Journal, 2018, v. 13, n. 23, p. 3554, doi. 10.1002/asia.201801562

By:

Wu, Jingjing;
Liu, Xin;
Hao, Yulei;
Chen, Hongjiang;
Su, Peifeng;
Wu, Wei;
Zhu, Jun

Publication type:

Article

σ‐Aromaticity in a Fully Unsaturated Ring.

Published in:

Chemistry - An Asian Journal, 2018, v. 13, n. 23, p. 3691, doi. 10.1002/asia.201801279

By:

Wu, Jingjing;
Liu, Xin;
Hao, Yulei;
Chen, Hongjiang;
Su, Peifeng;
Wu, Wei;
Zhu, Jun

Publication type:

Article

Probing the Aromaticity of Bi(metallacycloprop‐1‐ene) with Different Metals and Ligands.

Published in:

European Journal of Inorganic Chemistry, 2025, v. 28, n. 14, p. 1, doi. 10.1002/ejic.202500060

By:

Wang, Yarong;
Zhang, Xu;
Li, Yang;
Bao, Ming

Publication type:

Article

[32]π Fused Core-Modified Heptaphyrin with Möbius Aromaticity.

Published in:

Chemistry - A European Journal, 2016, v. 22, n. 12, p. 3942, doi. 10.1002/chem.201505116

By:

Ghosh, Arindam;
Chaudhary, Arvind;
Srinivasan, A.;
Suresh, Cherumuttathu H.;
Chandrashekar, Tavarekere K.

Publication type:

Article

Assessment of Clar's aromatic π-sextet rule by means of PDI, NICS and HOMA indicators of local aromaticity.

Published in:

Journal of Physical Organic Chemistry, 2005, v. 18, n. 8, p. 785, doi. 10.1002/poc.938

By:

Portella, Guillem;
Poater, Jordi;
Solà, Miquel

Publication type:

Article

Aromaticity of corazulenic fullerenes.

Published in:

Journal of Mathematical Chemistry, 2009, v. 45, n. 2, p. 330, doi. 10.1007/s10910-008-9409-0

By:

Diudea, Mircea V.;
Vizitiu, Aniela E.

Publication type:

Article

Delineation of a T-cell receptor CDR3-cancer mutanome aromaticity factor, assessable via blood samples, that facilitates the establishment of survival distinctions in bladder cancer.

Published in:

Journal of Cancer Research & Clinical Oncology, 2023, v. 149, n. 8, p. 4359, doi. 10.1007/s00432-022-04339-w

By:

Waweru, Jacqueline Wahura;
Mwangi, Kennedy Wanjau;
Barker, Vayda R.;
Gozlan, Etienne C.;
Yeagley, Michelle;
Blanck, George;
Makokha, Francis W.

Publication type:

Article

Are Multicentre Bond Indices and Related Quantities Reliable Predictors of Excited-State Aromaticity?

Published in:

Molecules, 2020, v. 25, n. 20, p. 4791, doi. 10.3390/molecules25204791

By:

Ponec, Robert;
Cooper, David L.;
Karadakov, Peter B.;
Mosquera, Ricardo

Publication type:

Article

Mutual Relations between Substituent Effect, Hydrogen Bonding, and Aromaticity in Adenine-Uracil and Adenine-Adenine Base Pairs †.

Published in:

Molecules, 2020, v. 25, n. 16, p. 3688, doi. 10.3390/molecules25163688

By:

Wieczorkiewicz, Paweł A.;
Szatylowicz, Halina;
Krygowski, Tadeusz M.;
Shenderovich, Ilya G.;
Scheiner, Steve

Publication type:

Article

Aromaticity as a Guiding Concept for Spectroscopic Features and Nonlinear Optical Properties of Porphyrinoids.

Published in:

Molecules, 2018, v. 23, n. 6, p. 1333, doi. 10.3390/molecules23061333

By:

Woller, Tatiana;
Geerlings, Paul;
De Proft, Frank;
Champagne, Benoît;
Alonso, Mercedes;
Domingo, Luis R.;
Solà, Miquel

Publication type:

Article

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.

Published in:

Journal of Structural Chemistry, 2024, v. 65, n. 11, p. 2317, doi. 10.1134/S0022476624110179

By:

Okmanov, R. Ya.;
Makhmudov, U. S.;
Ziyaev, A. A.;
Toshmurodov, T. T.;
Tashkhodzhaev, B.;
Eshimbetov, A. G.;
Khodjaniyazov, Kh. U.

Publication type:

Article

Aromaticity and Induced Current Study of C8H8(n+2) (n = −6, −4, −2, 0): In the Viewpoint of Huckel's Rule.

Published in:

Journal of Structural Chemistry, 2019, v. 60, n. 9, p. 1361, doi. 10.1134/S0022476619090014

By:

Monajjemi, M.

Publication type:

Article

Substituent effect on the aromaticity of 1,3-azole systems.

Published in:

Heterocyclic Communications, 2012, v. 18, n. 1, p. 11, doi. 10.1515/hc-2011-0050

By:

Gümüş, Selçuk;
Türker, Lemi

Publication type:

Article

Synthesis, structure, and assessment of aromaticity of the 1,3,4-oxadiazole ring in N- and S-alkyl derivatives of 5-phenyl-1,3,4-oxadiazol-2-thione using the Bird index.

Published in:

Journal of the Iranian Chemical Society, 2025, v. 22, n. 6, p. 1179, doi. 10.1007/s13738-025-03203-1

By:

Ziyaev, Abdukhakim A.;
Okmanov, Rasul Ya.;
Makhmudov, Utkir S.;
Eshimbetov, Alisher G.;
Toshmurodov, Turdibek T.;
Tashkhodzhaev, Bakhodir;
Khodjaniyazov, Khamid U.

Publication type:

Article

28π Non‐Fused Hexaphyrin: Synthesis, Protonation Triggered Möbius Aromaticity and Structural Properties.

Published in:

European Journal of Organic Chemistry, 2023, v. 26, n. 46, p. 1, doi. 10.1002/ejoc.202300870

By:

Dash, Syamasrit;
Ghosh, Arindam;
Bandyopadhyay, Suritra;
Kalita, Pankaj;
Vishwakarma, Rampal;
Srinivasan, A.;
Suresh, Cherumuttathu H.;
Chandrashekar, Tavarekere K.

Publication type:

Article

Cyclazines‐Structure and Aromaticity or Antiaromaticity on the Magnetic Criterion.

Published in:

European Journal of Organic Chemistry, 2022, v. 2022, n. 8, p. 1, doi. 10.1002/ejoc.202101362

By:

Kleinpeter, Erich;
Koch, Andreas

Publication type:

Article

Zwitterionic Aromaticity on Azulene Extrapolated to carbo‐Azulene.

Published in:

European Journal of Organic Chemistry, 2021, v. 2021, n. 46, p. 6450, doi. 10.1002/ejoc.202101228

By:

Poater, Jordi;
Heitkämper, Juliane;
Poater, Albert;
Maraval, Valérie;
Chauvin, Remi

Publication type:

Article

Visualisation of Chemical Shielding Tensors (VIST) to Elucidate Aromaticity and Antiaromaticity.

Published in:

European Journal of Organic Chemistry, 2021, v. 2021, n. 17, p. 2529, doi. 10.1002/ejoc.202100352

By:

Plasser, Felix;
Glöcklhofer, Florian

Publication type:

Article

Facile Synthesis and Global Aromaticity of Aza‐Superbenzene and Aza‐Supernaphthalene at Different Oxidation States.

Published in:

Angewandte Chemie, 2024, v. 136, n. 44, p. 1, doi. 10.1002/ange.202407990

By:

Ma, Yunhan;
Han, Yi;
Hou, Xudong;
Wu, Shaofei;
Chi, Chunyan

Publication type:

Article

Determine the Relative Aromaticity of Bilayer Graphyne, Bilayer Graphdiyne, and Bilayer Graphtriyne.

Published in:

Molecules, 2025, v. 30, n. 2, p. 365, doi. 10.3390/molecules30020365

By:

Zhang, Gang;
Gai, Xinwen;
Sun, Lulu;
Ma, Ji

Publication type:

Article

Aromaticity and Chirality: New Facets of Old Concepts.

Published in:

Molecules, 2024, v. 29, n. 22, p. 5394, doi. 10.3390/molecules29225394

By:

Shainyan, Bagrat A.

Publication type:

Article

On Integral INICS Aromaticity of Pyridodiazepine Constitutional Isomers and Tautomers.

Published in:

Molecules, 2023, v. 28, n. 15, p. 5684, doi. 10.3390/molecules28155684

By:

Jarończyk, Małgorzata;
Ostrowski, Sławomir;
Dobrowolski, Jan Cz.

Publication type:

Article

A QCT View of the Interplay between Hydrogen Bonds and Aromaticity in Small CHON Derivatives.

Published in:

Molecules, 2022, v. 27, n. 18, p. 6039, doi. 10.3390/molecules27186039

By:

Gallegos, Miguel;
Barrena-Espés, Daniel;
Guevara-Vela, José Manuel;
Rocha-Rinza, Tomás;
Pendás, Ángel Martín

Publication type:

Article

unified superatomic-molecule theory for local aromaticity in π-conjugated systems.

Published in:

National Science Review, 2023, v. 10, n. 3, p. 1, doi. 10.1093/nsr/nwac216

By:

(李丹), Dan Li;
(杨金龙), Jinlong Yang;
(程龙玖), Longjiu Cheng

Publication type:

Article

Co13O8—metalloxocubes: a new class of perovskite-like neutral clusters with cubic aromaticity.

Published in:

National Science Review, 2021, v. 8, n. 1, p. 1, doi. 10.1093/nsr/nwaa201

By:

Geng, Lijun;
Weng, Mouyi;
Xu, Cong-Qiao;
Zhang, Hanyu;
Cui, Chaonan;
Wu, Haiming;
Chen, Xin;
Hu, Mingyu;
Lin, Hai;
Sun, Zhen-Dong;
Wang, Xi;
Hu, Han-Shi;
Li, Jun;
Zheng, Jiaxin;
Luo, Zhixun;
Pan, Feng;
Yao, Jiannian

Publication type:

Article

Fundamentals of hot-melt pressure-sensitive adhesive tapes: the effect of tackifier aromaticity.

Published in:

Journal of Adhesion Science & Technology, 2007, v. 21, n. 7, p. 637, doi. 10.1163/156856107781192328

By:

O'Brien, Emmett P.;
Germinario, Louis T.;
Robe, Gary R.;
Williams, Tim;
Atkins, Doug G.;
Moroney, Debbie A.;
Peters, Mark A.

Publication type:

Article

Theoretical study on effect of substituent on aromaticity of tetrazole ring.

Published in:

Canadian Journal of Chemistry, 2023, v. 101, n. 10, p. 781, doi. 10.1139/cjc-2023-0014

By:

Yang, Chunhai;
Li, Xue;
Zhou, Ning;
Chen, Bing;
Dong, Huilong;
Jin, Junxun;
Hu, Xiuli;
Huang, Tao;
Shen, Lei;
Yi, Jun;
Wang, Quan;
Ouyang, Dihua

Publication type:

Article

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.

Published in:

Canadian Journal of Chemistry, 2009, v. 87, n. 10, p. 1280, doi. 10.1139/V09-052

By:

Ruiz-Morales, Yosadara

Publication type:

Article

Tests for aromaticity applied to the pentalenoquinones — A computational study.

Published in:

Canadian Journal of Chemistry, 2001, v. 79, n. 10, p. 1492, doi. 10.1139/cjc-79-10-1492

By:

Delamere, C;
Jakins, C;
Lewars, E

Publication type:

Article