Mariusz P. Mitoraj, Farhad Akbari Afkhami, Ghodrat Mahmoudi, Ali Akbar Khandar, Atash V. Gurbanov, Fedor I. Zubkov, Rory Waterman, Maria G. Babashkina, Dariusz W. Szczepanik, Himanshu S. Jena and Damir A. Safin

RSC Adv., 2019, 9, 23764
DOI: 10.1039/C9RA05276C

Photoinduced generation of carbocations enabled by the promotion of aromaticity

Meilan Zhang, Hanwei Lu, Hebo Ye, Ziyi Li, Yu Hai and Lei You

Org. Chem. Front., 2023, 10, 3889
DOI: 10.1039/D3QO00418J

Iridium-induced regioselective B–H and C–H activations at azo-substitutedm-carboranes: facile access to polynuclear complexes

Yang Gao, Shu-Ting Guo, Peng-Fei Cui, Francisco Aznarez and Guo-Xin Jin

Chem. Commun., 2019, 55, 210
DOI: 10.1039/C8CC09084J

Bent naphthodithiophenes: synthesis and characterization of isomeric fluorophores

Emmanuel B. A. Adusei, Vincent T. Casetti, Calvin D. Goldsmith, Madison Caswell, Drecila Alinj, Jimin Park, Matthias Zeller, Alexander A. Rusakov and Zacharias J. Kinney

RSC Adv., 2024, 14, 25120
DOI: 10.1039/D4RA04850D

Charge-driven stability and aromaticity of C2N2B2H4 isomers: insights from a combined DFT and machine learning study

Sajid Imran, Yuan Gao, Wenhao Wang and Jun Zhu

Org. Biomol. Chem., 2025, 23, 4508
DOI: 10.1039/D5OB00131E

The electron density of delocalized bonds (EDDB) applied for quantifying aromaticity

Dariusz W. Szczepanik, Marcin Andrzejak, Justyna Dominikowska, Barbara Pawełek, Tadeusz M. Krygowski, Halina Szatylowicz and Miquel Solà

Phys. Chem. Chem. Phys., 2017, 19, 28970
DOI: 10.1039/C7CP06114E

Predicting dinitrogen activation by borenium and borinium cations

Chenshu Dai and Jun Zhu

Phys. Chem. Chem. Phys., 2022, 24, 14651
DOI: 10.1039/D2CP01233B

Crystallographic evidence for global aromaticity in the di-anion and tetra-anion of a cyclophane hydrocarbon

Wojciech Stawski, Yikun Zhu, Zheng Wei, Marina A. Petrukhina and Harry L. Anderson

Chem. Sci., 2023, 14, 14109
DOI: 10.1039/D3SC04251K

Cuboctahedral Pd13 as a spherical aromatic noble metal core: insights from a ligand-protected [Pd13(Tr)6]2+ cluster

Jianyu Wei, Peter L. Rodríguez-Kessler, Jean-Yves Saillard and Alvaro Muñoz-Castro

Dalton Trans., 2024, 53, 16740
DOI: 10.1039/D4DT01633E

Bicycloaromaticity and Baird-type bicycloaromaticity of dithienothiophene-bridged [34]octaphyrins

Rashid R. Valiev, Heike Fliegl and Dage Sundholm

Phys. Chem. Chem. Phys., 2018, 20, 17705
DOI: 10.1039/C8CP03112F

An unprecedented π-electronic circuit involving an odd number of carbon atoms in a grossly warped non-planar nanographene

Sílvia Escayola, Albert Poater, Alvaro Muñoz-Castro and Miquel Solà

Chem. Commun., 2021, 57, 3087
DOI: 10.1039/D1CC00593F

The curious case of the crystalline tri-thorium cluster: cyclic delocalization without aromatic stabilization?

Dariusz W. Szczepanik

RSC Adv., 2023, 13, 34224
DOI: 10.1039/D3RA06603G

Aromaticity of the doubly charged [8]circulenes

Gleb V. Baryshnikov, Rashid R. Valiev, Nataliya N. Karaush, Dage Sundholm and Boris F. Minaev

Phys. Chem. Chem. Phys., 2016, 18, 8980
DOI: 10.1039/C6CP00365F

Triplet state (anti)aromaticity of some monoheterocyclic analogues of benzene, naphthalene and anthracene

Marija Baranac-Stojanović, Milovan Stojanović and Jovana Aleksić

New J. Chem., 2021, 45, 5060
DOI: 10.1039/D1NJ00207D

Doubly zwitterionic, di-reduced, highly electron-rich, air-stable naphthalenediimides: redox-switchable islands of aromatic–antiaromatic states

Sharvan Kumar, Jyoti Shukla, Kalyanashis Mandal, Yogendra Kumar, Ravi Prakash, Panch Ram and Pritam Mukhopadhyay

Chem. Sci., 2019, 10, 6482
DOI: 10.1039/C9SC00962K

The Glidewell–Lloyd rule explains the local aromaticity and the relative stability of benzoborepin isomers

Luis Leyva-Parra and Ricardo Pino-Rios

New J. Chem., 2024, 48, 10969
DOI: 10.1039/D4NJ01638F

Engineering non-ionic carbon super- and hyperbases by a computational DFT approach: substituted allenes have unprecedented cation affinities

Hamid Saeidian and Zohreh Mirjafary

New J. Chem., 2020, 44, 12967
DOI: 10.1039/D0NJ02207A

Inorganic salt-assisted assembly of anionic π-conjugated rings enabling7Li NMR-based evaluation of antiaromaticity

Shotaro Ito, Youichi Ishii and Takuya Kuwabara

Dalton Trans., 2022, 51, 16397
DOI: 10.1039/D2DT02649J

HOMER: a reparameterization of the harmonic oscillator model of aromaticity (HOMA) for excited states

Enrique M. Arpa and Bo Durbeej

Phys. Chem. Chem. Phys., 2023, 25, 16763
DOI: 10.1039/D3CP00842H

Synthesis of zigzag- and fjord-edged nanographene with dual amplified spontaneous emission

Xiushang Xu, Gianluca Serra, Andrea Villa, Rafael Muñoz-Mármol, Serhii Vasylevskyi, Marcos Gadea, Andrea Lucotti, Zensen Lin, Pedro G. Boj, Ryota Kabe, Matteo Tommasini, María Á. Díaz-García, Francesco Scotognella, Giuseppe Maria Paternò and Akimitsu Narita

Chem. Sci., 2022, 13, 13040
DOI: 10.1039/D2SC04208H

Aromatic nature of neutral and dianionic 1,4-diaza-2,3,5,6-tetraborinine derivatives

Kei Ota and Rei Kinjo

RSC Adv., 2021, 11, 592
DOI: 10.1039/D0RA09040A

Aromaticity and antiaromaticity in the cyclic 6π and 4π molecules of carbon and silicon E6H6 and E4H4 (E = C, Si)

Lili Zhao, Qin Ma, Israel Fernández and Gernot Frenking

Phys. Chem. Chem. Phys., 2025
DOI: 10.1039/D5CP02697K

Spin population determines whether antiaromaticity can increase or decrease radical stability

Yanlin Song and Jun Zhu

Phys. Chem. Chem. Phys., 2024, 26, 21213
DOI: 10.1039/D4CP01031K

Local and global aromaticity under rotation: analysis of two- and three-dimensional representative carbon nanostructures

Rafael Lingas, Nickolas D. Charistos and Alvaro Muñoz-Castro

Phys. Chem. Chem. Phys., 2023, 25, 14285
DOI: 10.1039/D3CP00569K

Substituent effects on paratropicity and diatropicity in π-extended hexapyrrolohexaazacoronene

Masayoshi Takase, Toranosuke Takata, Kosuke Oki, Shigeki Mori and Hidemitsu Uno

Chem. Sci., 2023, 14, 7036
DOI: 10.1039/D2SC07037E

The effect of two types of dibenzoannulation of pentalene on molecular energies and magnetically induced currents

Marija Baranac-Stojanović and Milovan Stojanović

Phys. Chem. Chem. Phys., 2019, 21, 3250
DOI: 10.1039/C8CP07875K

Aromaticity introduced by antiferromagnetic ligand mediated metal–metal interactions. Insights from the induced magnetic response in [Cu6(dmPz)6(OH)6]

V. Molina, M. Rauhalahti, J. Hurtado, H. Fliegl, D. Sundholm and A. Muñoz-Castro

Inorg. Chem. Front., 2017, 4, 986
DOI: 10.1039/C7QI00023E

Quantifying the conceptual problems associated with the isotropic NICS through analyses of its underlying density

Guillaume Acke, Sofie Van Damme, Remco W. A. Havenith and Patrick Bultinck

Phys. Chem. Chem. Phys., 2019, 21, 3145
DOI: 10.1039/C8CP07343K

Aromaticity in catalysis: metal ligand cooperation via ligand dearomatization and rearomatization

Théo P. Gonçalves, Indranil Dutta and Kuo-Wei Huang

Chem. Commun., 2021, 57, 3070
DOI: 10.1039/D1CC00528F

Computational predictions of adaptive aromaticity for the design of singlet fission materials

Lu Lin and Jun Zhu

Inorg. Chem. Front., 2022, 9, 914
DOI: 10.1039/D1QI01442K

Formation of the quasi-planar B56 boron cluster: topological path from B12 and disk aromaticity

Fernando Buendía, Hung Tan Pham, José Enrique Barquera-Lozada, Marcela R. Beltrán Sanchez and Minh Tho Nguyen

Phys. Chem. Chem. Phys., 2022, 24, 21822
DOI: 10.1039/D2CP02571J

Theoretical investigation of tautomerism of 2- and 4-pyridones: origin, substituent and solvent effects

Marija Baranac-Stojanović, Jovana Aleksić and Milovan Stojanović

Org. Biomol. Chem., 2024, 22, 144
DOI: 10.1039/D3OB01588B

Monitoring aromatic ring-currents in Mg-porphyrin by time-resolved circular dichroism

Yeonsig Nam, Jérémy R. Rouxel, Jin Yong Lee and Shaul Mukamel

Phys. Chem. Chem. Phys., 2020, 22, 26605
DOI: 10.1039/D0CP04815A

Phospha- and arsa-bridged cyclononatetraenides: novel zwitterionic 10π aromatic hemispheres

Gabriela L. Borosky, Kenneth K. Laali and Mark Mascal

New J. Chem., 2019, 43, 6267
DOI: 10.1039/C9NJ00235A

Electronic and geometric structures of Au30clusters: a network of 2e-superatom Au cores protected by tridentate protecting motifs with u3-S

Zhimei Tian and Longjiu Cheng

Nanoscale, 2016, 8, 826
DOI: 10.1039/C5NR05020K

Relating nucleus independent chemical shifts with integrated current density strengths

Slavko Radenković and Slađana Đorđević

Phys. Chem. Chem. Phys., 2021, 23, 11240
DOI: 10.1039/D1CP00784J

The shielding cone in spherical aromatic structures: insights from models for spherical 2(N + 1)2 aromatic fullerenes

Alvaro Muñoz-Castro

Phys. Chem. Chem. Phys., 2017, 19, 12633
DOI: 10.1039/C7CP01870C

Ligand-free supermolecules: [Pd2@Ge18]4− and [Pd2@Sn18]4− as multiple-bonded Zintl-ion clusters based on Pd@Ge9 and Pd@Sn9 assembled units

Peter L. Rodríguez-Kessler and Alvaro Muñoz-Castro

Nanoscale, 2024, 16, 5829
DOI: 10.1039/D4NR00220B

Exploring the influence of graphene on antiaromaticity of pentalene

Keerthy P. Sudhakaran, Alfy Benny, Athira T. John and Mahesh Hariharan

Phys. Chem. Chem. Phys., 2023, 25, 26986
DOI: 10.1039/D3CP02760K

Induced magnetic field in sp-hybridized carbon rings: analysis of double aromaticity and antiaromaticity in cyclo[2N]carbon allotropes

Nickolas D. Charistos and Alvaro Muñoz-Castro

Phys. Chem. Chem. Phys., 2020, 22, 9240
DOI: 10.1039/D0CP01252A

Optical spectra, electronic structure and aromaticity of benzannulated N-heterocyclic carbene and its analogues of the type C6H4(NR)2E: (E = Si, Ge, Sn, Pb)

Rinat R. Aysin, Sergey S. Bukalov, Larissa A. Leites and Alexander V. Zabula

Dalton Trans., 2017, 46, 8774
DOI: 10.1039/C7DT00356K

NO-induced adaptive antiaromaticity in cyclobutadiene

Qianqian Deng, Sajid Imran, Jun Yan and Jun Zhu

Org. Chem. Front., 2023, 10, 6131
DOI: 10.1039/D3QO01498C

Efficient prediction of nucleus independent chemical shifts for polycyclic aromatic hydrocarbons

Dimitrios Kilymis, Albert P. Bartók, Chris J. Pickard, Alexander C. Forse and Céline Merlet

Phys. Chem. Chem. Phys., 2020, 22, 13746
DOI: 10.1039/D0CP01705A

Visualizing electron delocalization in contorted polycyclic aromatic hydrocarbons

Albert Artigas, Denis Hagebaum-Reignier, Yannick Carissan and Yoann Coquerel

Chem. Sci., 2021, 12, 13092
DOI: 10.1039/D1SC03368A

The predictive power of aromaticity: quantitative correlation between aromaticity and ionization potentials and HOMO–LUMO gaps in oligomers of benzene, pyrrole, furan, and thiophene

Renana Gershoni-Poranne, Anuja P. Rahalkar and Amnon Stanger

Phys. Chem. Chem. Phys., 2018, 20, 14808
DOI: 10.1039/C8CP02162G

The hidden aromaticity in borazine

Rodrigo Báez-Grez and Ricardo Pino-Rios

RSC Adv., 2022, 12, 7906
DOI: 10.1039/D1RA06457F

C50Cl10, a planar aromatic fullerene. Computational study of 13C-NMR chemical shift anisotropy patterns and aromatic properties

Alan Miralrio, Luis E. Sansores, Bruce King and Alvaro Muñoz-Castro

Phys. Chem. Chem. Phys., 2018, 20, 26325
DOI: 10.1039/C8CP04938F

Borataalkene or boratabenzene? Understanding the aromaticity of 9-borataphenanthrene anions and its central ring

Rodrigo Báez-Grez and Ricardo Pino-Rios

New J. Chem., 2020, 44, 18069
DOI: 10.1039/D0NJ03942J

The making of ring currents

Guglielmo Monaco and Riccardo Zanasi

Phys. Chem. Chem. Phys., 2016, 18, 11800
DOI: 10.1039/C5CP07250F

Aromaticity and sterics control whether a cationic olefin radical is resistant to disproportionation

Julian Messelberger, Annette Grünwald, Stephen J. Goodner, Florian Zeilinger, Piermaria Pinter, Matthias E. Miehlich, Frank W. Heinemann, Max M. Hansmann and Dominik Munz

Chem. Sci., 2020, 11, 4138
DOI: 10.1039/D0SC00699H

[Bi6Mo3(CO)9]4−: a multiple local σ-aromatic cluster containing a distorted Bi6 triangular prism

Lei Qiao, Dandan Chen, Jun Zhu, Alvaro Muñoz-Castro and Zhong-Ming Sun

Chem. Commun., 2021, 57, 3656
DOI: 10.1039/D1CC00734C

Switch from local to global aromatic character in Möbius carbon nanobelts upon dioxidation. Evaluation of magnetic behavior in neutral and charged species

Desmond Macleod-Carey and Alvaro Muñoz-Castro

Phys. Chem. Chem. Phys., 2023, 25, 4467
DOI: 10.1039/D2CP05326H

Impact of heteroatoms (S, Se, and Te) on the aromaticity of heterocirculenes

Nataliya N. Karaush-Karmazin, Gleb V. Baryshnikov, Lenara I. Valiulina, Rashid Valiev, Hans Ågren and Boris F. Minaev

New J. Chem., 2019, 43, 12178
DOI: 10.1039/C9NJ02468A

Effect of size, charge, and spin state on Hückel and Baird aromaticity in [N]annulenes

Louis Van Nyvel, Mercedes Alonso and Miquel Solà

Chem. Sci., 2025, 16, 5613
DOI: 10.1039/D4SC08225G

The electronic structure and stability of germanium tubes Ge30H12and Ge33H12

Long Van Duong, Eduard Matito, Miquel Solà, Hadi Behzadi, Mohammad Jafar Momeni and Minh Tho Nguyen

Phys. Chem. Chem. Phys., 2018, 20, 23467
DOI: 10.1039/C8CP03737J

Does aromaticity account for an enhanced thermodynamic stability? The case of monosubstituted azaborines and the stereoelectronic chameleonism of the NH2 group

Marija Baranac-Stojanović and Milovan Stojanović

Phys. Chem. Chem. Phys., 2019, 21, 9465
DOI: 10.1039/C9CP01011D

Characterization of resonance structures in aromatic rings of benzene and its heavier-element analogues

Tomohiro Sugahara, Daisuke Hashizume, Norihiro Tokitoh, Hiroshi Matsui, Ryohei Kishi, Masayoshi Nakano and Takahiro Sasamori

Phys. Chem. Chem. Phys., 2022, 24, 22557
DOI: 10.1039/D2CP03068C

Unconventional singlet fission materials

Tobias Ullrich, Dominik Munz and Dirk M. Guldi

Chem. Soc. Rev., 2021, 50, 3485
DOI: 10.1039/D0CS01433H

Long-range magnetic response of toroidal boron structures: B16and [Co@B16]−/3−species

Alvaro Muñoz-Castro, Ivan A. Popov and Alexander I. Boldyrev

Phys. Chem. Chem. Phys., 2017, 19, 26145
DOI: 10.1039/C7CP04158F

Introduction of plumbole to f-element chemistry

Luca Münzfeld, Xiaofei Sun, Sören Schlittenhardt, Christoph Schoo, Adrian Hauser, Sebastian Gillhuber, Florian Weigend, Mario Ruben and Peter W. Roesky

Chem. Sci., 2022, 13, 945
DOI: 10.1039/D1SC03805B

Magnetically induced current density using London atomic orbitals of dihydroindeno-[1,2-b]-fluorenes

Cristina A. Barboza, Radovan Bast, Ezequiel Barboza, Desmond MacLeod-Carey and Ramiro Arratia-Perez

New J. Chem., 2018, 42, 15648
DOI: 10.1039/C8NJ02301H

Theoretical study on the stability and aromaticity in silapentafulvenes towards triplet ground state species

Jiashun Wu, Alvi Muhammad Rouf, Yuanyuan Huang, Danling Zhuang and Jun Zhu

Phys. Chem. Chem. Phys., 2020, 22, 4668
DOI: 10.1039/C9CP06506G

Can the current density map topology be extracted from the nucleus independent chemical shifts?

Sofie Van Damme, Guillaume Acke, Remco W. A. Havenith and Patrick Bultinck

Phys. Chem. Chem. Phys., 2016, 18, 11746
DOI: 10.1039/C5CP07170D

Heavier element-containing aromatics of [4n+2]-electron systems

Kei Ota and Rei Kinjo

Chem. Soc. Rev., 2021, 50, 10594
DOI: 10.1039/D0CS01354D

Planar inorganic five-membered heterocycles with σ + π dual aromaticity in both S0and T1states

Xiaojiao Gu, Le Yang and Peng Jin

Phys. Chem. Chem. Phys., 2022, 24, 22091
DOI: 10.1039/D2CP03116G

Synthesis and properties of thienonaphtho[bc]pyridines and thienonaphtho[bc]quinolines

Arpine Vardanyan, Jonas Polkaehn, Marie-Louis Bauder, Alexander Villinger, Peter Ehlers and Peter Langer

Org. Biomol. Chem., 2024, 22, 8631
DOI: 10.1039/D4OB01023J

Relativistic effects on the aromaticity of the halogenated benzenes: C6X6, X = H, F, Cl, Br, I, At

Rodrigo Ramírez-Tagle, Leonor Alvarado-Soto, Andrés Villavicencio-Wastavino and Luis Alvarez-Thon

Phys. Chem. Chem. Phys., 2016, 18, 25751
DOI: 10.1039/C6CP05265G

A theoretical study on application of BN/CC isosterism to modify topology of coronene aromaticity and HOMO–LUMO energy gaps

Marija Baranac-Stojanović, Milovan Stojanović and Jovana Aleksić

New J. Chem., 2024, 48, 14277
DOI: 10.1039/D4NJ01526F

Aromatic character of [Au13]5+ and [MAu12]4+/6+ (M = Pd, Pt) cores in ligand protected gold nanoclusters – interplay between spherical and planar σ-aromatics

Nikita Fedik, Alexander I. Boldyrev and Alvaro Muñoz-Castro

Phys. Chem. Chem. Phys., 2019, 21, 25215
DOI: 10.1039/C9CP04477A

Aromaticity: Quo Vadis

Gabriel Merino, Miquel Solà, Israel Fernández, Cina Foroutan-Nejad, Paolo Lazzeretti, Gernot Frenking, Harry L. Anderson, Dage Sundholm, Fernando P. Cossío, Marina A. Petrukhina, Jishan Wu, Judy I. Wu and Albeiro Restrepo

Chem. Sci., 2023, 14, 5569
DOI: 10.1039/D2SC04998H

Intercluster B–H and B–B aggregation in iso- and trans-[B20H18]2−. Spherical aromaticity in borane dimers

Peter L. Rodríguez-Kessler and Alvaro Muñoz-Castro

Dalton Trans., 2024, 53, 13960
DOI: 10.1039/D4DT01699H

Structures, stabilities and aromatic properties of endohedrally transition metal doped boron clusters M@B22, M = Sc and Ti: a theoretical study

Christian A. Celaya, Fernando Buendía, Alan Miralrio, Lauro Oliver Paz-Borbón, Marcela Beltran, Minh Tho Nguyen and Luis E. Sansores

Phys. Chem. Chem. Phys., 2020, 22, 8077
DOI: 10.1039/D0CP00307G

CC/B–N substitution in five membered heterocycles. A computational analysis

Vaibhav A. Dixit, William R. F. Goundry and Simone Tomasi

New J. Chem., 2017, 41, 3619
DOI: 10.1039/C7NJ00950J

Triangulenes and theirs ions: reaching the limits of Clar's rule

Eduardo Martín Rico-Sotomayor and José Enrique Barquera-Lozada

Phys. Chem. Chem. Phys., 2020, 22, 24704
DOI: 10.1039/D0CP03305G

“Bottled” spiro-doubly aromatic trinuclear [Pd2Ru]+complexes

Maksim Kulichenko, Nikita Fedik, Anna Monfredini, Alvaro Muñoz-Castro, Davide Balestri, Alexander I. Boldyrev and Giovanni Maestri

Chem. Sci., 2021, 12, 477
DOI: 10.1039/D0SC04469E

Anomalous effect of non-alternant hydrocarbons on carbocation and carbanion electronic configurations

Logan J. Fischer, Andrew S. Dutton and Arthur H. Winter

Chem. Sci., 2017, 8, 4231
DOI: 10.1039/C7SC01047H

Aromatic trails: persistence and interplay between linked spherical aromatic dicarboranes in dimer to hexamer linear arrays

Alvaro Muñoz-Castro

Phys. Chem. Chem. Phys., 2025, 27, 5249
DOI: 10.1039/D4CP03930K

Photoswitching neutral homoaromatic hydrocarbons

Trung Tran Ngoc, Niklas Grabicki, Elisabeth Irran, Oliver Dumele and Johannes F. Teichert

Nat. Chem., 2023, 15, 377
DOI: 10.1038/s41557-022-01121-w

Design of organic superacids based on triflic and perchloric acid by using DFT-B3LYP calculations

Hamid Saeidian

Struct Chem, 2020, 31, 851
DOI: 10.1007/s11224-019-01444-4

A Janus carbaporphyrin pseudo-dimer

Haodan He, Jiyeon Lee, Zhaohui Zong, Jiwon Kim, Vincent M. Lynch, Juwon Oh, Dongho Kim, Jonathan L. Sessler and Xian-Sheng Ke

Nat Commun, 2024, 15
DOI: 10.1038/s41467-024-47239-y

Synthesis and Photochromic Properties of Diaryl [5]Helicene Derivatives

Ruiji Li, Qi Fang, Minghui Chen, Mihoko Yamada, Yugo Tsuji, Yusuke Kugai, Wei Li and Tsuyoshi Kawai

Chemistry A European J, 2023, 29
DOI: 10.1002/chem.202302693

DFT Treatment of Betazole Tautomerism

Lemi Türker

EJCS, 2023, 213
DOI: 10.34198/ejcs.10223.213227

The Topology of Molecules with Twelve Fused Phenyl Rings ([12]Circulenes): Rings, Infinitenes, and Möbius Infinitenes

Steven M. Bachrach

J. Org. Chem., 2023, 88, 7962
DOI: 10.1021/acs.joc.2c02975

Ternary aromatic and anti-aromatic clusters derived from the hypho species [Sn2Sb5]3−

Yu-He Xu, Nikolay V. Tkachenko, Ivan A. Popov, Lei Qiao, Alvaro Muñoz-Castro, Alexander I. Boldyrev and Zhong-Ming Sun

Nat Commun, 2021, 12
DOI: 10.1038/s41467-021-24706-4

Ga5Li12+: A Doubly Aromatic Ga511– Ring Stabilized by Lithium Cations

Chagan Dari, Luis Leyva-Parra, Yi-fan Yang, William Tiznado and Zhong-hua Cui

Inorg. Chem., 2025, 64, 12429
DOI: 10.1021/acs.inorgchem.5c01912

An Overall Comprehension of Anti‐Aromatic Porphyrinoids Using 3D‐Graphical Chemical Shielding Description

Dongdong Qi and Jianzhuang Jiang

Advcd Theory and Sims, 2020, 3
DOI: 10.1002/adts.202000007

Database of Nuclear Independent Chemical Shifts (NICS) versus NICSZZ of Polycyclic Aromatic Hydrocarbons (PAHs)

Fernando Alvarez-Ramírez and Yosadara Ruiz-Morales

J. Chem. Inf. Model., 2020, 60, 611
DOI: 10.1021/acs.jcim.9b00909

Aromaticity in Phenyl Decorated closo-Monocarboranes. Planar–Spherical Aggregates Involving 7–12-Vertex Cages

Alvaro Muñoz-Castro

J. Phys. Chem. A, 2021, 125, 4861
DOI: 10.1021/acs.jpca.1c02934

The Seven‐Membered Ring in Bis‐Azuleno‐Naphthalene is Non‐Aromatic

Amnon Stanger

Eur J Org Chem, 2019, 2019, 857
DOI: 10.1002/ejoc.201801389

Conformational features and aromaticity of [18] to [38] 1,2,4,5-cyclophanes

Mahsa Afshari, Hossein Fallah-Bagher-Shaidaei and Mohammad Nikpassand

Struct Chem, 2025, 36, 483
DOI: 10.1007/s11224-024-02385-3

How much aromatic are naphthalene and graphene?

Vaibhav A. Dixit and Yashita Y. Singh

Computational and Theoretical Chemistry, 2019, 1162, 112504
DOI: 10.1016/j.comptc.2019.112504

Exploration of Li-Organic Batteries Using Hexaphyrin as an Active Cathode Material

Ji-Young Shin, Zhongyue Zhang, Kunio Awaga and Hiroshi Shinokubo

Molecules, 2019, 24, 2433
DOI: 10.3390/molecules24132433

Harnessing aromaticity and intramolecular hydrogen bonding to tailor organosuperbases by using 2,4,6-cycloheptatriene-1-imine scaffold

Maryam Gilani, Hamid Saeidian and Zohreh Mirjafary

Struct Chem, 2020, 31, 1545
DOI: 10.1007/s11224-020-01520-0

Aromaticity Survival in Hydrofullerenes: The Case of C66H4 with Its π‐Aromatic Circuits

Dandan Chen, Dariusz W. Szczepanik, Jun Zhu, Alvaro Muñoz‐Castro and Miquel Solà

Chemistry A European J, 2021, 27, 802
DOI: 10.1002/chem.202004322

Canonical orbital contributions to the magnetic fields induced by global and local diatropic and paratropic ring currents

Nickolas D. Charistos, Anastasios G. Papadopoulos, Thomas A. Nikopoulos, Alvaro Muñoz‐Castro and Michael P. Sigalas

J Comput Chem, 2017, 38, 2594
DOI: 10.1002/jcc.24917

Predicting bond-currents in polybenzenoid hydrocarbons with an additivity scheme

Eno Paenurk, Stefan Feusi and Renana Gershoni-Poranne

The Journal of Chemical Physics, 2021, 154
DOI: 10.1063/5.0038292

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

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

Chemistry A European J, 2020, 26, 2263
DOI: 10.1002/chem.201905088

Magnetic Anisotropic Effects in Charged Aza[10]annulene Analogs with a Non‐planar Carbon Framework

Jais Kurian, P. E. Swathi Krishna, Ishika Agrawal, Nagarajan Jayabal, Mahesh Hariharan and Muraleedharan K. Manheri

Chemistry An Asian Journal, 2025, 20
DOI: 10.1002/asia.202401309

On the aromaticity of uracil and its 5-halogeno derivatives as revealed by theoretically derived geometric and magnetic indexes

Kacper Rzepiela, Aneta Buczek, Teobald Kupka and Małgorzata A. Broda

Struct Chem, 2021, 32, 275
DOI: 10.1007/s11224-020-01682-x

Aromaticity, the Hückel 4 n+2 Rule and Magnetic Current

Lili Zhao, Rafael Grande‐Aztatzi, Cina Foroutan‐Nejad, Jesus M. Ugalde and Gernot Frenking

ChemistrySelect, 2017, 2, 863
DOI: 10.1002/slct.201602080

Push–Pull Effect on the Gas-Phase Basicity of Nitriles: Transmission of the Resonance Effects by Methylenecyclopropene and Cyclopropenimine π-Systems Substituted by Two Identical Strong Electron Donors

Ewa D. Raczyńska, Jean-François Gal, Pierre-Charles Maria and Hamid Saeidian

Symmetry, 2021, 13, 1554
DOI: 10.3390/sym13091554

Planarization of negatively curved [7]circulene on a graphene monolayer

Amir Karton

Chemical Physics, 2023, 569, 111853
DOI: 10.1016/j.chemphys.2023.111853

Möbius‐Aromaticity and Antiaromaticity Driven Nucleophilic Substitution Reactions in Cycloheptatrienide Zwitterions with a Twisted Cycloheptatetraene Intermediate

Rinat F. Salikov, Alena D. Sokolova, Dmitry N. Platonov, Alexander Yu. Belyy, Michael D. Khitrov and Yury V. Tomilov

Asian J Org Chem, 2025, 14
DOI: 10.1002/ajoc.202500119

The vorticity of the current density tensor and 3D‐aromaticity

José Enrique Barquera‐Lozada

Int J of Quantum Chemistry, 2019, 119
DOI: 10.1002/qua.25848

Unveiling the Impact of Aggregation on Optical Anisotropy of Triazaacephenanthrylene Single Crystals. A Combined Quantum Crystallography and Conceptual Density Functional Theory Approach

Marlena Gryl, Katarzyna Ostrowska, Jose Enrique Barquera-Lozada and Katarzyna M. Stadnicka

J. Phys. Chem. A, 2020, 124, 2931
DOI: 10.1021/acs.jpca.9b10651

Frustration-enhanced persistent currents in correlated trimer nanorings

Tie-Feng Fang, Wei-Tao Lu, Ai-Min Guo and Qing-Feng Sun

Phys. Rev. B, 2025, 111
DOI: 10.1103/PhysRevB.111.L081117

Vorticity: Simplifying the analysis of the current density

José E. Barquera‐Lozada

J Comput Chem, 2019, 40, 2602
DOI: 10.1002/jcc.26018

NICS‐XY‐Scan Predictions of Local, Semi‐Global, and Global Ring Currents in Annulated Pentalene and s‐Indacene Cores Compared to First‐Principles Current Density Maps

Amnon Stanger, Guglielmo Monaco and Riccardo Zanasi

ChemPhysChem, 2020, 21, 65
DOI: 10.1002/cphc.201900952

Predi-XY: a python program for automated generation of NICS-XY-scans based on an additivity scheme

Alexandra Wahab, Felix Fleckenstein, Stefan Feusi and Renana Gershoni-Poranne

Electron. Struct., 2020, 2, 047002
DOI: 10.1088/2516-1075/abd081

Naphthalene Peri Annelated N,N‐ and N,O‐Heterocycles: The Effect of Heteroatom‐Guided Peri‐Fusion on Their Structure and Reactivity Profiles‐A Theoretical Endoscopy

Demeter Tzeli, Pawel Kozielewicz, Mire Zloh, Dyeison Antonow, Petros G. Tsoungas and Ioannis D. Petsalakis

ChemistrySelect, 2018, 3, 9743
DOI: 10.1002/slct.201801627

Spin–orbit effects on magnetically induced current densities in the () clusters

Luis Alvarez‐Thon and Natalia Inostroza‐Pino

J Comput Chem, 2018, 39, 862
DOI: 10.1002/jcc.25170

Current-Density Calculations on Zn-Porphyrin40 Nanorings

Atif Mahmood, Maria Dimitrova and Dage Sundholm

J. Phys. Chem. A, 2023, 127, 7452
DOI: 10.1021/acs.jpca.3c03564

Probing Aromaticity with Supersonic Jet Spectroscopy: A Case Study on Furan, Thiophene, and Selenophene

Akshay Kumar Sahu, Anant Ram Satpathi, Saiprakash Rout, Pranay Mohanty, Laxmipriya Dash and Himansu S. Biswal

J. Phys. Chem. Lett., 2024, 15, 11445
DOI: 10.1021/acs.jpclett.4c02791

Peripheral (anti)aromaticity in the singlet and triplet states of cyclopenta[fg]acenaphthylene, pyrrolo[2,1,5-cd]indolizine and 2a1 boracyclopenta[cd]indene: NICS scan approach

Bijan K Paul

J Chem Sci, 2023, 135
DOI: 10.1007/s12039-023-02230-w

Paramagnetic NMR Shielding Tensors and Ring Currents: Efficient Implementation and Application to Heavy Element Compounds

Sebastian Gillhuber, Yannick J. Franzke and Florian Weigend

J. Phys. Chem. A, 2021, 125, 9707
DOI: 10.1021/acs.jpca.1c07793

Singlet Fission and Aromaticity

Amnon Stanger

J. Phys. Chem. A, 2022, 126, 8049
DOI: 10.1021/acs.jpca.2c04146

Substituent Effect on Triplet State Aromaticity of Benzene

Marija Baranac-Stojanović

J. Org. Chem., 2020, 85, 4289
DOI: 10.1021/acs.joc.9b03472

Structure–Property Relationships in Unsymmetric Bis(antiaromatics): Who Wins the Battle between Pentalene and Benzocyclobutadiene?

Péter J. Mayer, Ouissam El Bakouri, Tamás Holczbauer, Gergely F. Samu, Csaba Janáky, Henrik Ottosson and Gábor London

J. Org. Chem., 2020, 85, 5158
DOI: 10.1021/acs.joc.9b03119

Dihydropyrene as an Aromaticity Probe for Partially Quinoid Push–Pull Systems

Yves Garmshausen, Kristin Klaue and Stefan Hecht

ChemPlusChem, 2017, 82, 1025
DOI: 10.1002/cplu.201700068

Bonding in a Crystalline Tri‐Thorium Cluster: Not σ‐Aromatic But Still Unique

Dariusz W. Szczepanik

Angew Chem Int Ed, 2022, 61
DOI: 10.1002/anie.202204337

D6h‐Au42 Isomer: A Golden Aromatic Toroid Involving Superatomic π‐Orbitals that Follow the Hückel (4n+2)π rule

Alvaro Muñoz‐Castro

ChemPhysChem, 2016, 17, 3204
DOI: 10.1002/cphc.201600864

PeriRxn, a Tool for Assessing Pericyclicity through Nucleus-Independent Chemical Shifts and Normalized Multicenter Bond Orders

William DeSnoo and Dean J. Tantillo

J. Org. Chem., 2025, 90, 11469
DOI: 10.1021/acs.joc.5c00919

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

Dan Li, Jinlong Yang and Longjiu Cheng

National Science Review, 2023, 10
DOI: 10.1093/nsr/nwac216

A Series of Soluble Thieno-Fused Coronene Nanoribbons of Precise Lengths

Xuan Yang, Sven M. Elbert, Frank Rominger and Michael Mastalerz

J. Am. Chem. Soc., 2022, 144, 9883
DOI: 10.1021/jacs.2c02645

On the Bonding Nature in the Crystalline Tri‐Thorium Cluster: Core‐Shell Syngenetic σ‐Aromaticity

Xuhui Lin and Yirong Mo

Angewandte Chemie, 2022, 134
DOI: 10.1002/ange.202209658

Piecing it Together: An Additivity Scheme for Aromaticity using NICS‐XY Scans

Renana Gershoni‐Poranne

Chemistry A European J, 2018, 24, 4165
DOI: 10.1002/chem.201705407

25 years of NICS - much more than nothing!

Ralph Puchta, Sladjana Djordjevic, Slavko Radenkovic, Haijun Jiao and Eikema van

J Serb Chem Soc, 2022, 87, 1439
DOI: 10.2298/JSC211203057P

Recent progress in quantum chemistry of hetero[8]circulenes

Nataliya N. Karaush, Gleb V. Baryshnikov, Valentina A. Minaeva, Hans Ågren and Boris F. Minaev

Molecular Physics, 2017, 115, 2218
DOI: 10.1080/00268976.2017.1287438

Ring aromaticity via local pi-electron energies. Applications to polycondensed conjugated structures

Funct.Mater., 2022, 29
DOI: 10.15407/fm29.01.144

Antiaromatic Covalent Organic Frameworks Based on Dibenzopentalenes

Josefine Sprachmann, Tommy Wachsmuth, Manik Bhosale, David Burmeister, Glen J. Smales, Maximilian Schmidt, Zdravko Kochovski, Niklas Grabicki, Robin Wessling, Emil J. W. List-Kratochvil, Birgit Esser and Oliver Dumele

J. Am. Chem. Soc., 2023, 145, 2840
DOI: 10.1021/jacs.2c10501

Aromaticity Suppression by Intermolecular Coordination. Optical Spectra and Electronic Structure of Heavy Carbene Analogues with an Amidophenolate Backbone

R. R. Aysin, S. S. Bukalov, L. A. Leites, A. V. Lalov, K. V. Tsys and A. V. Piskunov

Organometallics, 2019, 38, 3174
DOI: 10.1021/acs.organomet.9b00434

Aromatic Rules of C22H122+/2•/2–: Flexibility in Electronic Structures of 2D Superatomic Molecules

Lijiao Guo, Dandan Zhang, Kaidong Shen, Qinqin Yuan, Dan Li and Longjiu Cheng

J. Phys. Chem. Lett., 2024, 15, 5754
DOI: 10.1021/acs.jpclett.4c01109

Aromaticity and antiaromaticity in monoheterocyclic three‐membered rings: Application of natural bond orbital theory

Samuel C. Brydon and Jonathan M. White

J of Physical Organic Chem, 2023, 36
DOI: 10.1002/poc.4463

Towards understanding metal aromaticity in different spin states: A density functional theory and information-theoretic approach analysis

Xin He, Donghai Yu, Jingyi Wu, Bin Wang, Chunying Rong, Pratim K. Chattaraj and Shubin Liu

Chemical Physics Letters, 2020, 761, 138065
DOI: 10.1016/j.cplett.2020.138065

Induced Magnetic Field of Fullerenes: Role of σ- and π- Contributions to Spherical Aromatic, Nonaromatic, and Antiaromatic Character in C60q (q = +10, 0, −6, −12), and Related Alkali-Metal Decorated Building Blocks, Li12C60 and Na6C60

Nickolas D. Charistos and Alvaro Muñoz-Castro

J. Phys. Chem. C, 2018, 122, 9688
DOI: 10.1021/acs.jpcc.8b02419

Hyperconjugative Antiaromaticity Activates 4H-Pyrazoles as Inverse-Electron-Demand Diels–Alder Dienes

Brian J. Levandowski, Nile S. Abularrage, K. N. Houk and Ronald T. Raines

Org. Lett., 2019, 21, 8492
DOI: 10.1021/acs.orglett.9b03351

Quantitative analysis of aromaticity in azines by means of dissected descriptors based on the magnetic criteria

Rodrigo Báez-Grez, Lily Arrué and Ricardo Pino-Rios

Chemical Physics Letters, 2021, 781, 138973
DOI: 10.1016/j.cplett.2021.138973

Theory of Magnetic Properties in Quantum Electrodynamics Environments: Application to Molecular Aromaticity

Alberto Barlini, Andrea Bianchi, Enrico Ronca and Henrik Koch

J. Chem. Theory Comput., 2024
DOI: 10.1021/acs.jctc.4c00195

Graphene‐induced planarization of cyclooctatetraene derivatives

Asja A. Kroeger and Amir Karton

J Comput Chem, 2022, 43, 96
DOI: 10.1002/jcc.26774

Relativistic effects on the ring current strengths of the substituted borazine: B3N3H6 (X=H, F, Cl, Br, I, At)

Walter A. Rabanal‐León, William Tiznado and Luis Alvarez‐Thon

Int J of Quantum Chemistry, 2019, 119
DOI: 10.1002/qua.25859

Interplay Between Planar and Spherical Aromaticity: Shielding Cone Behavior in Dual Planar‐Planar, Planar‐Spherical and Spherical‐Spherical Aromatics

Alvaro Muñoz‐Castro

ChemPhysChem, 2020, 21, 1384
DOI: 10.1002/cphc.202000322

Aromaticity and Magnetic Behavior in Benzenoids: Unraveling Ring Current Combinations

Luis Leyva‐Parra, Ricardo Pino‐Rios, Diego Inostroza, Miquel Solà, Mercedes Alonso and William Tiznado

Chemistry A European J, 2024, 30
DOI: 10.1002/chem.202302415

Aryl Nitrenium and Oxenium Ions with Unusual High-Spin π,π* Ground States: Exploiting (Anti)Aromaticity

Yunfan Qiu, Logan J. Fischer, Andrew S. Dutton and Arthur H. Winter

J. Org. Chem., 2017, 82, 13550
DOI: 10.1021/acs.joc.7b02698

Synthesis of 2-Azapyrenes and Their Photophysical and Electrochemical Properties

Ricardo Molenda, Sebastian Boldt, Alexander Villinger, Peter Ehlers and Peter Langer

J. Org. Chem., 2020, 85, 12823
DOI: 10.1021/acs.joc.0c01622

Fulfilling the 2(N+1)2 Hirsch rule in smaller hollow fullerenes. Evaluation of long‐range magnetic behavior and NMR patterns of C28, , C24N4, and C28H4

Alvaro Muñoz‐Castro

Int J of Quantum Chemistry, 2018, 118
DOI: 10.1002/qua.25645

Use of Charge‐Charge Repulsion to Enhance π‐Electron Delocalization into Anti‐Aromatic and Aromatic Systems

Akinari Sumita, Makafui Gasonoo, Kenneth J. Boblak, Tomohiko Ohwada and Douglas A Klumpp

Chemistry A European J, 2017, 23, 2566
DOI: 10.1002/chem.201606036

Effect of benzo-annelation on magnetically induced current density

Slavko Radenković and Slađana Đorđević

Chemical Physics Letters, 2023, 815, 140370
DOI: 10.1016/j.cplett.2023.140370

Revisiting (anti)aromaticity and chemical bond in planar BXNX clusters (x = 2‐11)

Lily Arrué and Ricardo Pino‐Rios

Int J of Quantum Chemistry, 2020, 120
DOI: 10.1002/qua.26403

A theoretical assessment of the structural and electronic features of some retrochalcones

Ankit Mittal and Rita Kakkar

Int J of Quantum Chemistry, 2021, 121
DOI: 10.1002/qua.26797

Triplet State Baird Aromaticity in Macrocycles: Scope, Limitations, and Complications

Rabia Ayub, Ouissam El Bakouri, Joshua R. Smith, Kjell Jorner and Henrik Ottosson

J. Phys. Chem. A, 2021, 125, 570
DOI: 10.1021/acs.jpca.0c08926

One‐pot Syntheses of Benzo‐ and Benzofuran‐fused Iridaoxabenzenes via CH Bond Activations of Alkyl‐bridged Diphenol Derivatives

Takahiro Iwamoto, Mika Suzuki, Hibiki Hasegawa, Hinako Abeta, Yusuke Matsuo, Takayuki Tanaka, Nobuhiro Yasuda and Youichi Ishii

Chemistry An Asian Journal, 2023, 18
DOI: 10.1002/asia.202300640

Synergy effect of central ring modification and fluorination on the electronic structure of condensed arenes

Matej Uhliar, Martin Michalík and Vladimír Lukeš

Struct Chem, 2025
DOI: 10.1007/s11224-025-02480-z

Strain or electronic effects? MP2 and DFT aromaticity investigation in small ring annulated benzene

Mohammad Reza Molavian, Amir Abdolmaleki and Kiamars Eskandari

Computational and Theoretical Chemistry, 2017, 1099, 102
DOI: 10.1016/j.comptc.2016.11.022

Revisiting hollow all-carbon structures: Aromaticity and kinetic stability

Osvaldo Yañez and Ricardo Pino Rios

Diamond and Related Materials, 2023, 136, 110057
DOI: 10.1016/j.diamond.2023.110057

Interpreting the behavior of the by resolving in orbitals, sign, and positions

Guillaume Acke, Sofie Van Damme, Remco W. A. Havenith and Patrick Bultinck

J Comput Chem, 2018, 39, 511
DOI: 10.1002/jcc.25095

Aromaticity of Nonplanar Fully Benzenoid Hydrocarbons

Marija Antić, Boris Furtula and Slavko Radenković

J. Phys. Chem. A, 2017, 121, 3616
DOI: 10.1021/acs.jpca.7b02521

Why is Benzene Unique? Screening Magnetic Properties of C6H6Isomers

Tomáš Janda and Cina Foroutan‐Nejad

ChemPhysChem, 2018, 19, 2357
DOI: 10.1002/cphc.201800364

Photoswitchable dynamic conjugate addition-elimination reactions as a tool for light-mediated click and clip chemistry

Hanwei Lu, Hebo Ye, Meilan Zhang, Zimu Liu, Hanxun Zou and Lei You

Nat Commun, 2023, 14
DOI: 10.1038/s41467-023-39669-x

Evidence that π‐ligand exchange reactions of chalcogen iranium ions proceed via Hückel pseudocoarctate transition states

Samuel C. Brydon, Gabriel da Silva and Jonathan M. White

J of Physical Organic Chem, 2020, 33
DOI: 10.1002/poc.4111

Aromaticity of 5- and 7-Membered Metallacyclocumulenes of Group 4

R. R. Aysin and S. S. Bukalov

Organometallics, 2021, 40, 938
DOI: 10.1021/acs.organomet.1c00050

Electron Delocalization in Planar Metallacycles: Hückel or Möbius Aromatic?

Dariusz W. Szczepanik and Miquel Solà

ChemistryOpen, 2019, 8, 219
DOI: 10.1002/open.201900014

Aromaticity of Heterocirculenes

Nataliya N. Karaush-Karmazin, Glib V. Baryshnikov and Boris F. Minaev

Chemistry, 2021, 3, 1411
DOI: 10.3390/chemistry3040102

Unraveling the Aromatic Rule of Cyclic Superatomic Molecules in π-Conjugated Compounds

Xinlei Yu, Panpan Wu, Qinqin Yuan, Chen Yan, Dan Li and Longjiu Cheng

J. Phys. Chem. A, 2023, 127, 7487
DOI: 10.1021/acs.jpca.3c03872

Spin‐orbit effects on the ring current strengths of the substituted cyclophosphazene: c$$ c $$‐P3$$ {}_3 $$N3$$ {}_3 $$X6$$ {}_6 $$(X=H, F, Cl, Br, I, At, Ts)$$ \left(\mathbf{X}=\mathbf{H},\mathbf{F},\mathbf{Cl},\mathbf{Br},\mathbf{I},\mathbf{At},\mathbf{Ts}\right) $$

Rodrigo Ramirez‐Tagle and Luis Alvarez‐Thon

Int J of Quantum Chemistry, 2024, 124
DOI: 10.1002/qua.27431

Spin-orbit effects on magnetically induced current densities in the M42- (M=B,Al,Ga,In,Tl) clusters

Luis Alvarez-Thon and Wilson Caimanque-Aguilar

Chemical Physics Letters, 2017, 671, 118
DOI: 10.1016/j.cplett.2017.01.027

Calculated Magnetic Properties of a Recently Synthesized Corannulene–Dibenzobistetracene Hybrid

Timothy K. Dickens and Roger B. Mallion

J. Org. Chem., 2021, 86, 17404
DOI: 10.1021/acs.joc.1c01836

Flat-Band-Induced Anomalous Anisotropic Charge Transport and Orbital Magnetism in Kagome Metal CoSn

Hao Huang, Lixuan Zheng, Zhiyong Lin, Xu Guo, Sheng Wang, Shuai Zhang, Chi Zhang, Zhe Sun, Zhengfei Wang, Hongming Weng, Lin Li, Tao Wu, Xianhui Chen and Changgan Zeng

Phys. Rev. Lett., 2022, 128
DOI: 10.1103/PhysRevLett.128.096601

Isolation of Fluorescent 2π-Aromatic 1,3-Disiladiboretenes

Jiawei Fan, Ling Yue, Ce Liu, Bin Rao, Guijiang Zhou, Anyang Li and Bochao Su

J. Am. Chem. Soc., 2024, 146, 39
DOI: 10.1021/jacs.3c09747

Interplay of Hückel and Möbius Aromaticity in Metal‐Metal Quintuple Bonded Complexes of Cr, Mo, and W with Amidinate Ligand: Ab initio DFT and Multireference Analysis**

Shanti G. Patra and Totan Mondal

ChemPhysChem, 2021, 22, 298
DOI: 10.1002/cphc.202000923

An electronic properties investigation to interpret the substituent constants of monosubstituted benzene derivatives

Mohammad Manassir and Ali H. Pakiari

Journal of Molecular Graphics and Modelling, 2019, 92, 201
DOI: 10.1016/j.jmgm.2019.07.017

A facile one-pot, solvent-free synthesis of new pyrazolone-1,3-dithiolan hybrids through the reaction between 2-pyrazoline-5-ones, CS2, and α-chloroacetaldehyde

Leila Sabahi-Agabager, Saeideh Akhavan and Farough Nasiri

Journal of Sulfur Chemistry, 2022, 43, 391
DOI: 10.1080/17415993.2022.2055432

Theoretical study on aromatic characters in π-stacked multimers composed of antiaromatic molecules

Ryota Sugimori, Masato Ikeuchi, Ryohei Kishi and Yasutaka Kitagawa

Bulletin of the Chemical Society of Japan, 2024, 97
DOI: 10.1093/bulcsj/uoae133

Hückel's Rule of Aromaticity Categorizes Aromatic closo Boron Hydride Clusters

Jordi Poater, Miquel Solà, Clara Viñas and Francesc Teixidor

Chemistry A European J, 2016, 22, 7437
DOI: 10.1002/chem.201600510

Contrasting Bonding Extremes in Two [Ge6]n−Complexes: A Wadian Polyhedron (n= 2) versus a Hydrocarbon-like 2c–2e Polygermanide (n= 12)

Ai-Min Li, Yi Wang, Peter Y. Zavalij, Yu-Sheng Chen, Alvaro Muñoz-Castro and Bryan W. Eichhorn

Inorg. Chem., 2021, 60, 14697
DOI: 10.1021/acs.inorgchem.1c01799

Three Queries about the HOMA Index

Jan Cz. Dobrowolski

ACS Omega, 2019, 4, 18699
DOI: 10.1021/acsomega.9b02628

O-Annulation to Polycyclic Aromatic Hydrocarbons: A Tale of Optoelectronic Properties from Five- to Seven-Membered Rings

Luka Đorđević, Domenico Milano, Nicola Demitri and Davide Bonifazi

Org. Lett., 2020, 22, 4283
DOI: 10.1021/acs.orglett.0c01331

Zinc phthalocyanine absorbance in the near-infrared with application for transparent and colorless dye-sensitized solar cells

Thibaut Baron, Ximena Zarate, Yoan Hidalgo-Rosa, Michael Zambrano-Angulo, Kevin Mall-Haidaraly, Ricardo Pino-Rios, Yann Pellegrin, Fabrice Odobel and Gloria Cárdenas-Jirón

Comptes Rendus. Chimie, 2021, 24, 157
DOI: 10.5802/crchim.113

A study of the aromaticity of thia[7]circulene isomers

Yang Yang, Satewaerdi Helili and Ablikim Kerim

Molecular Physics, 2022, 120
DOI: 10.1080/00268976.2022.2060146

Correspondence on “How Aromatic Are Molecular Nanorings? The Case of a Six‐Porphyrin Nanoring”**

Jie‐Ren Deng, David Bradley, Michael Jirásek, Harry L. Anderson and Martin D. Peeks

Angewandte Chemie, 2022, 134
DOI: 10.1002/ange.202201231

Captodative Substitution Enhances the Diradical Character of Compounds, Reduces Aromaticity, and Controls Single-Molecule Conductivity Patterns: A Valence Bond Study

Thijs Stuyver, David Danovich and Sason Shaik

J. Phys. Chem. A, 2019, 123, 7133
DOI: 10.1021/acs.jpca.9b06096

Effect of activated carbon catalyst on the cracking of biomass molecules into light hydrocarbons in biomass pyrolysis

Teguh Suprianto, Winarto, Widya Wijayanti and ING Wardana

IOP Conf. Ser.: Mater. Sci. Eng., 2021, 1034, 012079
DOI: 10.1088/1757-899X/1034/1/012079

An Organoborane Vinyl Monomer with Styrene-like Radical Reactivity: Reactivity Ratios and Role of Aromaticity

Heidi L. van de Wouw, Elorm C. Awuyah, Jodie I. Baris and Rebekka S. Klausen

Macromolecules, 2018, 51, 6359
DOI: 10.1021/acs.macromol.8b01368

A Guide for the Design of Functional Polyaromatic Organophosphorus Materials

Philip Hindenberg, Alicia López‐Andarias, Frank Rominger, Abel de Cózar and Carlos Romero‐Nieto

Chemistry A European J, 2017, 23, 13919
DOI: 10.1002/chem.201701649

Assessing the Extent of π-Electron Delocalization in Naphtho-Annelated Fluoranthenes by Means of Topological Ring-Currents

Timothy K. Dickens, Roger B. Mallion and Slavko Radenković

J. Phys. Chem. A, 2019, 123, 1445
DOI: 10.1021/acs.jpca.8b12068

(Anti)aromaticity of Cyclo[2n]Carbons (n = 3–12)

Marija Baranac‐Stojanović

Chemistry An Asian Journal, 2025, 20
DOI: 10.1002/asia.202500295

Intra and interatomic energy contributions in the photophysical relaxation of small aromatic molecules

Jesús Jara‐Cortés, José A. Pérez‐Pimienta, Jae Woo Park and Jesús Hernández‐Trujillo

ChemPhotoChem, 2024, 8
DOI: 10.1002/cptc.202300291

Novel insight on aromaticity enhancement of pyridone heterocycles using the anomeric effect-Schleyer hyperconjugation aromaticity: A DFT and NBO study

Hamid Saeidian, Zohreh Mirjafary, Hossein Mahmoodian, Ali Abdoullah Kalaf Alnashi and Kazem Mahmoodzadeh

Computational and Theoretical Chemistry, 2023, 1229, 114328
DOI: 10.1016/j.comptc.2023.114328

Molecular magnetisabilities computed via finite fields: assessing alternatives to MP2 and revisiting magnetic exaltations in aromatic and antiaromatic species

Tim Stauch, Brad Ganoe, Jonathan Wong, Joonho Lee, Adam Rettig, Jiashu Liang, Jie Li, Evgeny Epifanovsky, Teresa Head-Gordon and Martin Head-Gordon

Molecular Physics, 2021, 119
DOI: 10.1080/00268976.2021.1990426

Relation Between Ring Currents and Hydrogenation Enthalpies for Assessing the Degree of Aromaticity

Chandan Kumar, Heike Fliegl and Dage Sundholm

J. Phys. Chem. A, 2017, 121, 7282
DOI: 10.1021/acs.jpca.7b07607

Local aromaticity mapping in the vicinity of planar and nonplanar molecules

Teobald Kupka, Łukasz Gajda, Leszek Stobiński, Łukasz Kołodziej, Adrianna Mnich, Aneta Buczek and Małgorzata A. Broda

Magnetic Reson in Chemistry, 2019, 57, 359
DOI: 10.1002/mrc.4880

Polygonal current models for polycyclic aromatic hydrocarbons and graphene sheets of various shapes

Stefano Pelloni and Paolo Lazzeretti

J Comput Chem, 2018, 39, 21
DOI: 10.1002/jcc.25076

Enhancement of diamagnetism by momentum-momentum interaction: Application to benzene

Thaís V. Trevisan, Gustavo M. Monteiro and Amir O. Caldeira

Phys. Rev. B, 2021, 103
DOI: 10.1103/PhysRevB.103.L180402

Phenanthrene-Extended Phenazine Dication: An Electrochromic Conformational Switch Presenting Dual Reactivity

Jacopo Dosso, Beatrice Bartolomei, Nicola Demitri, Fernando P. Cossío and Maurizio Prato

J. Am. Chem. Soc., 2022, 144, 7295
DOI: 10.1021/jacs.2c00493

Impact of crystal and molecular structure of three novel thiosulfonate crystals on their vibrational and NMR parameters

Teobald Kupka, Błażej Dziuk, Krzysztof Ejsmont, Natalina Makieieva, Liubov Fizer, Nataliia Monka, Roksolana Konechna, Nataliia Stadnytska, Sofiia Vasyliuk and Vira Lubenets

Journal of Molecular Structure, 2024, 1313, 138642
DOI: 10.1016/j.molstruc.2024.138642

Borepin Rings as “Sigma-Free” Reporters of Aromaticity within Polycyclic Aromatic Scaffolds

Reid E. Messersmith and John D. Tovar

J. Phys. Chem. A, 2019, 123, 881
DOI: 10.1021/acs.jpca.9b00125

Dual spherical-spherical aromaticity in [M(η2-P4)2]+ (M = Cu, Ag, Au) and [P(P4)2]+. Evaluation of bonding nature and spherical aromatic character of the P4 aggregates from DFT calculations

Carolina Olea Ulloa, Amr A.A. Attia, Alexandru Lupan, R. Bruce King and Alvaro Muñoz-Castro

Inorganic Chemistry Communications, 2024, 159, 111680
DOI: 10.1016/j.inoche.2023.111680

Nb11O15−. As a persistent spherical antiaromatic cluster

Peter L. Rodríguez-Kessler and Alvaro Muñoz-Castro

Chemical Physics Letters, 2024, 857, 141687
DOI: 10.1016/j.cplett.2024.141687

Synthesis, Aromaticity, and Application of peri‐Pentacenopentacene: Localized Representation of Benzenoid Aromatic Compounds

Tanguy Jousselin‐Oba, Masashi Mamada, Karen Wright, Jérome Marrot, Chihaya Adachi, Abderrahim Yassar and Michel Frigoli

Angew Chem Int Ed, 2022, 61
DOI: 10.1002/anie.202112794

Aromaticity of Diazaborines and Their Protonated Forms

Milovan Stojanović and Marija Baranac-Stojanović

J. Org. Chem., 2016, 81, 197
DOI: 10.1021/acs.joc.5b02499

Alkaloids Reactivity: DFT Analysis of Selective Demethylation Reactions

Olatz Larrañaga, José I. Miranda, Fernando P. Cossío and Abel de Cózar

J. Org. Chem., 2018, 83, 15101
DOI: 10.1021/acs.joc.8b02364

Transformation of Crowded Oligoarylene into Perylene‐Cored Chiral Nanographene by Sequential Oxidative Cyclization and 1,2‐Phenyl Migration

Jinghao Wang, Chengshuo Shen, Guoli Zhang, Fuwei Gan, Yongle Ding and Huibin Qiu

Angew Chem Int Ed, 2022, 61
DOI: 10.1002/anie.202115979

Stable Monoareno-pentalenes with Two Olefinic Protons

Péter J. Mayer and Gábor London

Org. Lett., 2023, 25, 42
DOI: 10.1021/acs.orglett.2c03752

Vertical π-extension of dibenzopentalene: A combined experimental and computational study of a phenanthreno-benzopentalene derivative

Péter J. Mayer, Bence B. Botlik, Enikő Meiszter, Krisztina Németh, Christian J. Schürmann, Tamás Holczbauer and Gábor London

Computational and Theoretical Chemistry, 2023, 1224, 114113
DOI: 10.1016/j.comptc.2023.114113

Investigation of structural, electronic, and antioxidant properties of calycopetrin and xanthomicrol as two polymethoxylated flavones using DFT calculations

Arjang Jalezadeh, Zohreh Mirjafary, Morteza Rouhani and Hamid Saeidian

Struct Chem, 2022, 33, 1241
DOI: 10.1007/s11224-022-01929-9

Electronic structure and aromaticity of [12]infinitene: A DFT study

Slađana Đorđević, Dušan Ćoćić, Muntadar Al-Yassiri, Slavko Radenković and Ralph Puchta

Kragujevac J Science, 2023, 29
DOI: 10.5937/KgJSci2345029D

On-surface synthesis of a doubly anti-aromatic carbon allotrope

Yueze Gao, Florian Albrecht, Igor Rončević, Isaac Ettedgui, Paramveer Kumar, Lorel M. Scriven, Kirsten E. Christensen, Shantanu Mishra, Luca Righetti, Max Rossmannek, Ivano Tavernelli, Harry L. Anderson and Leo Gross

Nature, 2023, 623, 977
DOI: 10.1038/s41586-023-06566-8

Synthesis and Properties of 1H-Pyrrolo[3′,2′:3,4]fluoreno[9,1-gh]quinolines and 7H-Pyrrolo[2′,3′,4′:4,10]anthra[1,9-fg]quinolines

Aleksandra Khomutetckaia, Peter Ehlers, Alexander Villinger and Peter Langer

Molecules, 2025, 30, 2615
DOI: 10.3390/molecules30122615

Theoretical monitoring of aromaticity induction from noble gases to Borole structure

Ayda Atri, Morteza Rouhani and Zohreh Mirjafary

Sci Rep, 2025, 15
DOI: 10.1038/s41598-025-91459-1

Delocalization Effects and Tunable Emission in a Class of Charged Cyclazines with Nitrogen on the Periphery

Jais Kurian, Kanneth S. Shurooque, Venkatachalam Ramkumar, Lakshmi Chakkumkumarath and Muraleedharan Kannoth M.

Org. Lett., 2021, 23, 3354
DOI: 10.1021/acs.orglett.1c00827

Many Body Current Density from Foldy–Wouthuysen Transformation of the Dirac–Coulomb Hamiltonian

Francesco Ferdinando Summa and Roberta Citro

Physchem, 2022, 2, 96
DOI: 10.3390/physchem2020007

Localized Antiaromaticity Hotspot Drives Reductive Dehydrogenative Cyclizations in Bis- and Mono-Helicenes

Zheng Zhou, Dominic T. Egger, Chaowei Hu, Matthew Pennachio, Zheng Wei, Rahul K. Kawade, Ökten Üngör, Renana Gershoni-Poranne, Marina A. Petrukhina and Igor V. Alabugin

J. Am. Chem. Soc., 2022, 144, 12321
DOI: 10.1021/jacs.2c03681

The Form of the HOMA Geometric Aromaticity Index Is Universal and Allows the Design of Electronic and Magnetic Descriptors

Jan Cz. Dobrowolski and Sławomir Ostrowski

J. Org. Chem., 2025, 90, 8674
DOI: 10.1021/acs.joc.5c00740

Effect of aromaticity and ring strain on proton affinity of aziridine and amidine skeletons: a DFT study

Hamid Saeidian, Ehsan Barfinejad and Esmail Vessally

J IRAN CHEM SOC, 2020, 17, 1731
DOI: 10.1007/s13738-020-01899-x

Density functional theory study on gas‐phase microscopic basicity of some ketenimine derivatives and their isomers/tautomers

Leila Solgi, Zohreh Mirjafary, Javad Mokhtari and Hamid Saeidian

J of Physical Organic Chem, 2023, 36
DOI: 10.1002/poc.4446

Near-infrared absorption of fused core-modified expanded porphyrins for dye-sensitized solar cells

María Isabel Menéndez, Nicolas Montenegro-Pohlhammer, Ricardo Pino-Rios, Rodrigo Urzúa-Leiva, Simone Morales-Lovera, Merlys Borges-Martínez, Kevin Granados-Tavera, Ramón López and Gloria Cárdenas-Jirón

The Journal of Chemical Physics, 2023, 158
DOI: 10.1063/5.0143835

From Macrocycles to Quantum Rings: Does Aromaticity Have a Size Limit?

Michael Jirásek, Harry L. Anderson and Martin D. Peeks

Acc. Chem. Res., 2021, 54, 3241
DOI: 10.1021/acs.accounts.1c00323

Magnetically induced current densities in phenylenes in the ground and lowest lying triplet excited states

Slađana Đorđević, Jovana Rakonjac and Slavko Radenković

Kragujevac J Science, 2024, 46, 31
DOI: 10.5937/KgJSci2400014D

Aromaticity of N‐heterocyclic carbene and its analogues: Magnetically induced ring current perspective

Shanti G. Patra and Nilangshu Mandal

Int J of Quantum Chemistry, 2020, 120
DOI: 10.1002/qua.26152

[Sn8]6−‐Bridged Mixed‐Valence ZnI/ZnIIin {[K2ZnSn8(ZnMes)]2}4−Inverse Sandwich‐Type Cluster Supported by a ZnI−ZnIBond

Hong‐Lei Xu, Nikolay V. Tkachenko, Alvaro Muñoz‐Castro, Alexander I. Boldyrev and Zhong‐Ming Sun

Angewandte Chemie, 2021, 133, 10078
DOI: 10.1002/ange.202102578

Some isomers of boron-nitrogen doped phenanthrene – DFT treatment

Lemi Türker

EJCS, 2024, 47
DOI: 10.34198/ejcs.12125.047064

Assessment of the performance of six indices in predicating the aromaticity of planar porphyrinoids

Wenjing Ding, Zhan Zhang, Xi Chen and Chang-guo Zhan

J Mol Model, 2023, 29
DOI: 10.1007/s00894-023-05485-9

An insight on the aromatic changes in closed shell icosagen, tetrel, and pnictogen phenalenyl derivatives

Cristina Trujillo, Goar Sánchez-Sanz, Ibon Alkorta and José Elguero

Struct Chem, 2017, 28, 345
DOI: 10.1007/s11224-016-0882-y

Impact of the current density on paramagnetic NMR properties

Yannick J. Franzke and Christof Holzer

The Journal of Chemical Physics, 2022, 157
DOI: 10.1063/5.0103898

The Antiaromatic Nucleophilic Substitution Reaction (SNAAr) in Cycloheptatrienyl-Anion Containing Zwitterions with a Möbius-Aromatic Intermediate

Alena D. Sokolova, Dmitry N. Platonov, Alexander Yu. Belyy, Rinat F. Salikov, Kirill S. Erokhin and Yury V. Tomilov

Org. Lett., 2024, 26, 5877
DOI: 10.1021/acs.orglett.4c01446

Band Gap Engineering and 14 Electron Superatoms in 2D Superoctahedral Boranes B4X2 (B, N, P, As, Sb)

Nikita Fedik, Dmitriy V. Steglenko, Alvaro Muñoz-Castro, Ruslan M. Minyaev and Vladimir I. Minkin

J. Phys. Chem. C, 2021, 125, 17280
DOI: 10.1021/acs.jpcc.1c02939

On the Bonding Nature in the Crystalline Tri‐Thorium Cluster: Core‐Shell Syngenetic σ‐Aromaticity

Xuhui Lin and Yirong Mo

Angew Chem Int Ed, 2022, 61
DOI: 10.1002/anie.202209658

An Additivity Scheme for Aromaticity: The Heteroatom Case

Patrick Finkelstein and Renana Gershoni‐Poranne

ChemPhysChem, 2019, 20, 1508
DOI: 10.1002/cphc.201900128

Oxidation of [3]naphthylenes to cations and dications converts local paratropicity into global diatropicity

Abel Cárdenas, Zexin Jin, Yong Ni, Jishan Wu, Yan Xia, Francisco Javier Ramírez and Juan Casado

Beilstein J. Org. Chem., 2025, 21, 277
DOI: 10.3762/bjoc.21.20

Aromaticity of six-membered nitro energetic compounds through molecular electrostatic potential, magnetic, electronic delocalization and reactivity-based indices

Samir Kenouche, Nassima Bachir, Wissam Bouchal and Jorge I. Martínez-Araya

Journal of Molecular Graphics and Modelling, 2024, 129, 108728
DOI: 10.1016/j.jmgm.2024.108728

HOMAc: A Parameterization of the Harmonic Oscillator Model of Aromaticity (HOMA) That Includes Antiaromaticity

Enrique M. Arpa, Sven Stafström and Bo Durbeej

J. Org. Chem., 2025, 90, 1297
DOI: 10.1021/acs.joc.4c02475

Revival of Hückel Aromatic (Poly)benzenoid Subunits in Triplet State Polycyclic Aromatic Hydrocarbons by Silicon Substitution

Marija Baranac‐Stojanović, Milovan Stojanović and Jovana Aleksić

Chemistry An Asian Journal, 2022, 17
DOI: 10.1002/asia.202101261

Comparison of Various Theoretical Measures of Aromaticity within Monosubstituted Benzene

Caleb K. Swain and Steve Scheiner

Molecules, 2024, 29, 2260
DOI: 10.3390/molecules29102260

Tricyclic 1,4‐Diphosphinines: Local vs. Global Aromaticity

Tim Kalisch, Philipp C. Brehm and Rainer Streubel

ChemPhysChem, 2024, 25
DOI: 10.1002/cphc.202400417

Interplay of Aromaticity and Antiaromaticity in N-Doped Nanographenes

Isaac Benkyi, Olga Staszewska-Krajewska, Daniel T. Gryko, Michał Jaszuński, Amnon Stanger and Dage Sundholm

J. Phys. Chem. A, 2020, 124, 695
DOI: 10.1021/acs.jpca.9b11315

Aromaticity and Antiaromaticity: How to Define Them

Marija Baranac-Stojanović

Chemistry, 2025, 7, 127
DOI: 10.3390/chemistry7040127

Aromaticity of Cope and Claisen rearrangements

Thiago S. Castro, Guilherme F. Martins, Sara F. de Alcântara Morais and Daví A. C. Ferreira

Theor Chem Acc, 2023, 142
DOI: 10.1007/s00214-023-02975-0

Magnetic Antiaromaticity─Paratropicity─Does Not Necessarily Imply Instability

Cina Foroutan-Nejad

J. Org. Chem., 2023, 88, 14831
DOI: 10.1021/acs.joc.3c01807

The Aromaticity of Osmapentalenes Derivatives – An Analysis Based on Electron‐Delocalization Indices

Rafael Grande‐Aztazi, Eduard Matito, Jesus M. Ugalde and Jose M. Mercero

ChemPhysChem, 2025, 26
DOI: 10.1002/cphc.202400713

Are Metallacyclopentadienes Always Non-Aromatic?

Ricardo Casiano-González and José Enrique Barquera-Lozada

Chemistry, 2021, 3, 1302
DOI: 10.3390/chemistry3040094

Intramolecular Charge Transfer in Antiaromatic Donor/Acceptor‐Fused s‐Indacenes

Isabella S. Demachkie, Michael P. Miller, Gabrielle I. Warren, Joshua E. Barker, Eric T. Strand, Lev N. Zakharov and Michael M. Haley

Angewandte Chemie, 2025, 137
DOI: 10.1002/ange.202420989

Assessment of New Expanded Porpholactones as UV/Vis/NIR Chromophores for Dye-Sensitized Solar Cell Applications

Ricardo Pino-Rios, Nicolás Montenegro-Pohlhammer and Gloria Cárdenas-Jirón

J. Phys. Chem. A, 2021, 125, 2267
DOI: 10.1021/acs.jpca.0c11188

Latin American contributions to quantum chemical topology

Marco A. García‐Revilla, Fernando Cortés‐Guzmán, Tomás Rocha‐Rinza and Jesús Hernández‐Trujillo

Int J of Quantum Chemistry, 2019, 119
DOI: 10.1002/qua.25789

Effect of Benzo‐Annelation on Triplet State Energies in Polycyclic Conjugated Hydrocarbons

Slavko Radenković, Slađana Đorđević and Marijana Nikolendžić

Chemistry A European J, 2024, 30
DOI: 10.1002/chem.202400361

Helicene Aromaticity Deviates from the Clar Rule—On the Electronic Dissimilarity of Large Isomeric Fibonacenes

Ludmilla Sturm, Albert Artigas, Yoann Coquerel, Ivan H. Bechtold, Fabien Durola and Harald Bock

Angew Chem Int Ed, 2024, 63
DOI: 10.1002/anie.202403170

Different mutual positions of double bonds in open carbon chains and corresponding information from magnetically induced current densities

Liliana Mammino and Luis Alvarez‐Thon

Int J of Quantum Chemistry, 2019, 119
DOI: 10.1002/qua.25941

One-shot synthesis of BN-embedded hexabenzocoronene via a dearomative triple borylation

Soichiro Nakatsuka, Takehiro Yamamoto, Hiroaki Abe, Shione Kiriyama, Masashi Mamada, Nobuhiro Yasuda, Susumu Oda, Chihaya Adachi and Takuji Hatakeyama

Chem, 2025, 102655
DOI: 10.1016/j.chempr.2025.102655

Aromaticity of nucleic acid bases

Halina Szatylowicz, Olga A. Stasyuk, Miquel Solà and Tadeusz M. Krygowski

WIREs Comput Mol Sci, 2021, 11
DOI: 10.1002/wcms.1509

Direct Estimation of Aromatization Energy from 1H NMR and UV–Vis Absorption Data of Homodesmotic Molecules

Puthiyavalappil K. Arathi and Cherumuttathu H. Suresh

J. Org. Chem., 2024, 89, 10485
DOI: 10.1021/acs.joc.4c00668

Photoswitchable Keto–Enol Tautomerism Driven by Light-Induced Change in Antiaromaticity

Hanwei Lu, Hebo Ye, Meilan Zhang, Lifeng Wang and Lei You

Org. Lett., 2022, 24, 8639
DOI: 10.1021/acs.orglett.2c03441

Predicting a New Δ‐Proton Sponge‐Base of 4,12‐Dihydrogen‐4,8,12‐triazatriangulene through Proton Affinity, Aromatic Stabilization Energy, and Aromatic Magnetism

Muntadar A. H. Al‐Yassiri and Ralph Puchta

ChemPhysChem, 2023, 24
DOI: 10.1002/cphc.202200688

Organometallic complexes of carbon nanotori

Roxana M. del Castillo, Alan Miralrio, Citlalli Rios and Roberto Salcedo

J Mol Model, 2019, 25
DOI: 10.1007/s00894-019-4118-0

On the aromaticity of actinide compounds

Zahra Badri and Cina Foroutan-Nejad

Nat Rev Chem, 2024, 8, 551
DOI: 10.1038/s41570-024-00617-y

The role of the long‐range exchange corrections in the description of electron delocalization in aromatic species

Dariusz W. Szczepanik, Miquel Solà, Marcin Andrzejak, Barbara Pawełek, Justyna Dominikowska, Mercedes Kukułka, Karol Dyduch, Tadeusz M. Krygowski and Halina Szatylowicz

J Comput Chem, 2017, 38, 1640
DOI: 10.1002/jcc.24805

Diazoxide and its Tautomers - A DFT Treatment

Lemi Türker

EJCS, 2023, 249
DOI: 10.34198/ejcs.9223.249265

Selective Arene Hydrogenation for Direct Access to Saturated Carbo‐ and Heterocycles

Mario P. Wiesenfeldt, Zackaria Nairoukh, Toryn Dalton and Frank Glorius

Angew Chem Int Ed, 2019, 58, 10460
DOI: 10.1002/anie.201814471

Exact two-component theory becoming an efficient tool for NMR shieldings and shifts with spin–orbit coupling

Yannick J. Franzke and Christof Holzer

The Journal of Chemical Physics, 2023, 159
DOI: 10.1063/5.0171509

Substantial π-aromaticity in the anionic heavy-metal cluster [Th@Bi12]4−

Armin R. Eulenstein, Yannick J. Franzke, Niels Lichtenberger, Robert J. Wilson, H. Lars Deubner, Florian Kraus, Rodolphe Clérac, Florian Weigend and Stefanie Dehnen

Nat. Chem., 2021, 13, 149
DOI: 10.1038/s41557-020-00592-z

Planar ten-membered 10-π-electron aromatic (CH)5(XH)5 {X = Ge, Sn} systems

Sukanta Mondal, Pallavi Sarkar and Alvaro Muñoz-Castro

J Mol Model, 2018, 24
DOI: 10.1007/s00894-018-3797-2

Some Tautomers of Amrinone and their Interaction with Calcium Cation - DFT Treatment

Lemi Türker

EJCS, 2022, 209
DOI: 10.34198/ejcs.9223.209226

Current Density and Spectroscopy—A Themed Issue in Honor of Professor Riccardo Zanasi on the Occasion of His 70th Birthday

Andrea Peluso and Guglielmo Monaco

Chemistry, 2022, 4, 118
DOI: 10.3390/chemistry4010010

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

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

Angewandte Chemie, 2024, 136
DOI: 10.1002/ange.202320144

Ruthenium-Catalyzed Carbocycle-Selective Hydrogenation of Fused Heteroarenes

Chenguang Luo, Chaozheng Wu, Xiaoming Wang, Zhaobin Han, Zheng Wang and Kuiling Ding

J. Am. Chem. Soc., 2024, 146, 35043
DOI: 10.1021/jacs.4c05365

Is coronene better described byClar's aromatic π‐sextet model or by the AdNDP representation?

Anand Kumar, Miquel Duran and Miquel Solà

J Comput Chem, 2017, 38, 1606
DOI: 10.1002/jcc.24801

Unsymmetrical Thienopentalenes: Synthesis, Optoelectronic Properties, and (Anti)aromaticity Analysis

Tamás Gazdag, Péter J. Mayer, Péter Pál Kalapos, Tamás Holczbauer, Ouissam El Bakouri and Gábor London

ACS Omega, 2022, 7, 8336
DOI: 10.1021/acsomega.1c05618

On the aromaticity of substituted benzene

Shanti Gopal Patra, Himangshu Mondal, Manash Jyoti Bhattacharjya, Naina Chetia and Pratim Kumar Chattaraj

Theor Chem Acc, 2023, 142
DOI: 10.1007/s00214-023-03032-6

Benchmarking Magnetizabilities with Recent Density Functionals

Susi Lehtola, Maria Dimitrova, Heike Fliegl and Dage Sundholm

J. Chem. Theory Comput., 2021, 17, 1457
DOI: 10.1021/acs.jctc.0c01190

Isolation of a 16π‐Electrons 1,4‐Diphosphinine‐1,4‐diide with a Planar C4P2Ring

Dennis Rottschäfer, Beate Neumann, Hans‐Georg Stammler, Tetiana Sergeieva, Diego M. Andrada and Rajendra S. Ghadwal

Chemistry A European J, 2021, 27, 3055
DOI: 10.1002/chem.202003617

σ0π2 Singlet Ground State Carbenes Undergo Least-Motion Reactions with H2 and Alkenes

Stefan F. Clewing and J. Philipp Wagner

J. Org. Chem., 2021, 86, 15247
DOI: 10.1021/acs.joc.1c01865

Aromaticity in Semi‐Condensed Figure‐Eight Molecules

Albert Artigas, Yannick Carissan, Denis Hagebaum‐Reignier, Harald Bock, Fabien Durola and Yoann Coquerel

Chemistry A European J, 2024, 30
DOI: 10.1002/chem.202401016

py.Aroma: An Intuitive Graphical User Interface for Diverse Aromaticity Analyses

Zhe Wang

Chemistry, 2024, 6, 1692
DOI: 10.3390/chemistry6060103

Polycyclic Heteroaromatic π‐Linkers Provide Dithienylethene Switches with Favorable Thermal and Photochemical Properties for Solar‐Energy Storage

Thillaiarasi S, D. Sravanakumar Perumalla, Baswanth Oruganti and Bo Durbeej

ChemPhotoChem, 2024, 8
DOI: 10.1002/cptc.202300225

Energetics of Baird aromaticity supported by inversion of photoexcited chiral [4n]annulene derivatives

Michihisa Ueda, Kjell Jorner, Young Mo Sung, Tadashi Mori, Qi Xiao, Dongho Kim, Henrik Ottosson, Takuzo Aida and Yoshimitsu Itoh

Nat Commun, 2017, 8
DOI: 10.1038/s41467-017-00382-1

Tuning Magnetic Interactions Between Triphenylene Radicals by Variation of Crystal Packing in Structures with Alkali Metal Counterions

Zheng Zhou, Ökten Üngör, Zheng Wei, Michael Shatruk, Alexandra Tsybizova, Renana Gershoni-Poranne and Marina A. Petrukhina

Inorg. Chem., 2021, 60, 14844
DOI: 10.1021/acs.inorgchem.1c02139

Evolution of aromaticity in B3n (n = 2+, 1+, 0, 1-, 2-, 3-) clusters upon electron injection and abstraction: A comprehensive analysis using ELF, NICS, ring current maps and AdNDP

Sourav Ranjan Ghosh, Sasthi Charan Halder, Suranjana Mitra, Rohan Mondal and Atish Dipankar Jana

Computational and Theoretical Chemistry, 2025, 1251, 115349
DOI: 10.1016/j.comptc.2025.115349

Some Isomers of Nevirapine - A DFT Study

Lemi Türker

EJCS, 2023, 93
DOI: 10.34198/ejcs.10123.93109

Global Aromatic Ring Currents in Neutral Porphyrin Nanobelts

Marco Vitek, Jie-Ren Deng, Harry L. Anderson and Igor Rončević

ACS Nano, 2025, 19, 1405
DOI: 10.1021/acsnano.4c14100

Prediction of Spin Density, Baird‐Antiaromaticity, and Singlet–Triplet Energy Gap in Triplet‐State Polybenzenoid Systems from Simple Structural Motifs

Greta Markert, Eno Paenurk and Renana Gershoni‐Poranne

Chemistry A European J, 2021, 27, 6923
DOI: 10.1002/chem.202005248

Through-Space Shielding Effects of Metal-Complexed Phenyl Rings

William H. Miles, Michael J. Robinson, Samantha G. Lessard and Dasan M. Thamattoor

J. Org. Chem., 2016, 81, 10791
DOI: 10.1021/acs.joc.6b01858

Rupturing aromaticity by periphery overcrowding

Promeet K. Saha, Abhijit Mallick, Andrew T. Turley, Aisha N. Bismillah, Andrew Danos, Andrew P. Monkman, Alyssa-Jennifer Avestro, Dmitry S. Yufit and Paul R. McGonigal

Nat. Chem., 2023, 15, 516
DOI: 10.1038/s41557-023-01149-6

Multidimensional Isotropic Magnetic Shielding Contour Maps for the Visualization of Aromaticity in ortho-Arynes and Their Reactions

Albert Artigas, Denis Hagebaum-Reignier, Yannick Carissan and Yoann Coquerel

Synthesis, 2022, 54, 4997
DOI: 10.1055/a-1867-0674

Utilizing the cyclopentadiene scaffolds in the design of novel organic anion receptors: A DFT analysis

Fariba Golpayegani, Zohreh Mirjafary, Hamid Saeidian and Javad Mokhtari

Inorganic Chemistry Communications, 2020, 119, 108090
DOI: 10.1016/j.inoche.2020.108090

Nature of Cation‐π Interaction in Mono‐ and Inverted Sandwich Ga(I) Complexes. Insights Into the Ga(I)‐π Features and NMR Patterns from GaCp, GaCp*, [Ga2Cp]+, and [Ga2Cp*]+

Raul Guajardo‐Maturana, Peter L. Rodríguez‐Kessler and Alvaro Muñoz‐Castro

Eur J Inorg Chem, 2024, 27
DOI: 10.1002/ejic.202400400

Experimental and Theoretical Evidence for Aromatic Stabilization Energy in Large Macrocycles

Michael Jirásek, Michel Rickhaus, Lara Tejerina and Harry L. Anderson

J. Am. Chem. Soc., 2021, 143, 2403
DOI: 10.1021/jacs.0c12845

Some nitroborazines – A DFT treatment

Lemi Türker

EJCS, 2025, 103
DOI: 10.34198/ejcs.12225.103117

BN- and B2N2-coronenes: Singlet and triplet state aromaticity, HOMO-LUMO and S0-T1 energy gap

Marija Baranac-Stojanović

Computational and Theoretical Chemistry, 2025, 1247, 115166
DOI: 10.1016/j.comptc.2025.115166

Aromaticity Concepts Derived from Experiments

Halina Szatylowicz, Paweł A. Wieczorkiewicz and Tadeusz M. Krygowski

Sci, 2022, 4, 24
DOI: 10.3390/sci4020024

Fluoromaticity: The Molecular Orbital Contributions of Fluorine Substituents to the π-Systems of Aromatic Rings

Timothy J. Fuhrer, Matthew Houck and Scott T. Iacono

ACS Omega, 2021, 6, 32607
DOI: 10.1021/acsomega.1c04175

Light-Induced Formation/Scission of C–N, C–O, and C–S Bonds Enables Switchable Stability/Degradability in Covalent Systems

Yu Hai, Hebo Ye, Ziyi Li, Hanxun Zou, Hanwei Lu and Lei You

J. Am. Chem. Soc., 2021, 143, 20368
DOI: 10.1021/jacs.1c09958

Die selektive Arenhydrierung bietet einen direkten Zugang zu gesättigten Carbo‐ und Heterocyclen

Mario P. Wiesenfeldt, Zackaria Nairoukh, Toryn Dalton and Frank Glorius

Angewandte Chemie, 2019, 131, 10570
DOI: 10.1002/ange.201814471

Is (benzene)Cr(CO)3 really more aromatic than benzene?

Amnon Stanger

Can. J. Chem., 2017, 95, 263
DOI: 10.1139/cjc-2016-0334

Assessing the Aromaticity of Fluorinated Benzene Derivatives Using New Descriptors Based on the Distributed Multipole Analysis (DMA) Partition of the Electron Density

Nathália M. P. Rosa, Matheus Máximo‐Canadas and Itamar Borges

J of Physical Organic Chem, 2025, 38
DOI: 10.1002/poc.70024

Synthesis, Structures, and Properties of π‐Extended Phosphindolizine Derivatives

Akihiro Tsurusaki, Sana Tahara, Makoto Nakamura, Hiroyo Matsumoto and Ken Kamikawa

Chemistry A European J, 2023, 29
DOI: 10.1002/chem.202203321

Tuning (Anti)Aromaticity: Variations on the [8]‐Circulene Framework

Patrick W Fowler and Cate S Anstöter

ChemPhysChem, 2024, 25
DOI: 10.1002/cphc.202300791

Toward Molecular Magnets of Organic Origin via Anion−π Interaction Involving m-Aminyl Diradical: A Theoretical Study

Debojit Bhattacharya, Suranjan Shil, Anirban Misra, Laimutis Bytautas and Douglas J. Klein

J. Phys. Chem. A, 2016, 120, 9117
DOI: 10.1021/acs.jpca.6b09666

Calculation of Diamagnetic Susceptibility Tensors of Organic Crystals: From Coronene to Pharmaceutical Polymorphs

Rui Guo, M. Nadia Uddin, Louise S. Price and Sarah L. Price

J. Phys. Chem. A, 2020, 124, 1409
DOI: 10.1021/acs.jpca.9b07104

Transformation of Crowded Oligoarylene into Perylene‐Cored Chiral Nanographene by Sequential Oxidative Cyclization and 1,2‐Phenyl Migration

Jinghao Wang, Chengshuo Shen, Guoli Zhang, Fuwei Gan, Yongle Ding and Huibin Qiu

Angewandte Chemie, 2022, 134
DOI: 10.1002/ange.202115979

Electronic and magnetic properties of the [Ni(salophen)]: An experimental and DFT study

Rodrigo A. Mendes, José Carlos Germino, Bruno R. Fazolo, Ericson H.N.S. Thaines, Franklin Ferraro, Anderson M. Santana, Romildo J. Ramos, Gabriel L.C. de Souza, Renato G. Freitas, Pedro A.M. Vazquez and Cristina A. Barboza

Journal of Advanced Research, 2018, 9, 27
DOI: 10.1016/j.jare.2017.10.004

Spin accommodation and reactivity of nickel clusters with oxygen: Aromatic and magnetic metalloxocube Ni13O8±

Lijun Geng, Baoqi Yin, Hanyu Zhang, Zhen-Dong Sun and Zhixun Luo

Nano Res., 2021, 14, 4822
DOI: 10.1007/s12274-021-3435-7

Spherical Aromaticity of Tetrahedral Pnictogens Through Off‐Nucleus Isotropic Magnetic Shielding

Muntadar A. H. Al‐Yassiri

ChemPhysChem, 2022, 23
DOI: 10.1002/cphc.202200271

Quantifying Vertical Resonance Energy in Aromatic Systems with Natural Bond Orbitals

Karnjit Parmar and Michel Gravel

Eur J Org Chem, 2023, 26
DOI: 10.1002/ejoc.202201008

Why Aromaticity Is a Suspicious Concept? Why?

Miquel Solà

Front. Chem., 2017, 5
DOI: 10.3389/fchem.2017.00022

Dimorpholinoacetylene and Its Use for the Synthesis of Tetraaminocyclobutadiene Species

Lukas Körner, Luong Phong Ho, Ralph Puchta, Amnon Stanger and Matthias Tamm

Chemistry A European J, 2022, 28
DOI: 10.1002/chem.202202737

Aromaticity study of singlet‐ and triplet‐state corannulene dianion and dication

Jovana Aleksić, Milovan Stojanović and Marija Baranac‐Stojanović

J of Physical Organic Chem, 2023, 36
DOI: 10.1002/poc.4434

Magnetic Response of Aromatic Rings Under Rotation: Aromatic Shielding Cone of Benzene Upon Different Orientations of the Magnetic Field

A. G. Papadopoulos, N. D. Charistos and A. Muñoz‐Castro

ChemPhysChem, 2017, 18, 1499
DOI: 10.1002/cphc.201700279

First-principles investigation of dimethyl-functionalized MIL-53(Al) metal–organic framework for adsorption and separation of xylene isomers

Mostafa Yousefzadeh Borzehandani, Emilia Abdulmalek, Mohd Basyaruddin Abdul Rahman and Muhammad Alif Mohammad Latif

J Porous Mater, 2021, 28, 579
DOI: 10.1007/s10934-020-01016-6

Helicene Aromaticity Deviates from the Clar Rule—On the Electronic Dissimilarity of Large Isomeric Fibonacenes

Ludmilla Sturm, Albert Artigas, Yoann Coquerel, Ivan H. Bechtold, Fabien Durola and Harald Bock

Angewandte Chemie, 2024, 136
DOI: 10.1002/ange.202403170

Spherical aromaticity in C-, Si-, and Ge-containing compounds

Nicolas Zapp, Kevin Rohe, Ruijie Ye, David Scheschkewitz and Michael Springborg

Computational and Theoretical Chemistry, 2017, 1102, 5
DOI: 10.1016/j.comptc.2016.12.040

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

Magdalena Gajda, Łukasz Gajda, Teobald Kupka and Tapas Kar

Magnetic Reson in Chemistry, 2020, 58, 145
DOI: 10.1002/mrc.4967

The Planar Cyclooctatetraene Bridge in Bis-Metallic Macrocycles: Isolating or Conjugating?

Susovan Bhowmik, Monica Kosa, Amir Mizrahi, Natalia Fridman, Magal Saphier, Amnon Stanger and Zeev Gross

Inorg. Chem., 2017, 56, 2287
DOI: 10.1021/acs.inorgchem.6b02944

Effect of Heteroaromaticity on Adsorption of Pyrazine on the Ge(100)-2×1 Surface

Tania E. Sandoval, Fabian Pieck, Ralf Tonner and Stacey F. Bent

J. Phys. Chem. C, 2020, 124, 22055
DOI: 10.1021/acs.jpcc.0c04673

On Aromaticity of the Aromatic α-Amino Acids and Tuning of the NICS Indices to Find the Aromaticity Order

Wojciech M. Dudek, Sławomir Ostrowski and Jan Cz. Dobrowolski

J. Phys. Chem. A, 2022, 126, 3433
DOI: 10.1021/acs.jpca.2c00346

Information on Gas‐Phase Diatomic Molecules from Magnetically Induced Current Densities

Luis Alvarez‐Thon and Liliana Mammino

J Comput Chem, 2018, 39, 52
DOI: 10.1002/jcc.25083

Ruthenium-mediated assembly and enhanced stability of heterometallic polystannides [Ru2Sn19]4− and [Ru2Sn20]6−

Wei-Xing Chen, Nikolay V. Tkachenko, Alvaro Muñoz-Castro, Alexander I. Boldyrev and Zhong-Ming Sun

Nano Res., 2022, 15, 5705
DOI: 10.1007/s12274-022-4178-9

Correlation of aging and thermal stability of commercial 18650-type lithium ion batteries

M. Börner, A. Friesen, M. Grützke, Y.P. Stenzel, G. Brunklaus, J. Haetge, S. Nowak, F.M. Schappacher and M. Winter

Journal of Power Sources, 2017, 342, 382
DOI: 10.1016/j.jpowsour.2016.12.041

Iridium‐Induced Regioselective B−H and C−C Activations at Azo‐Substituted o‐Carboranes

Yang Gao, Peng‐Fei Cui, Francisco Aznarez and Guo‐Xin Jin

Chemistry A European J, 2018, 24, 10357
DOI: 10.1002/chem.201801381

Dinitro-[1H,4H]-dihydropyrazines - A DFT treatment

Lemi Türker

EJMS, 2024, 385
DOI: 10.34198/ejcs.11324.385404

Aromatic character of Oh‐C24N24. A cavernous nitride fullerene bearing N4‐macrocycle motifs

Nickolas D. Charistos, Peng Jin and Alvaro Muñoz‐Castro

Int J of Quantum Chemistry, 2019, 119
DOI: 10.1002/qua.25919

Effect of Ring Size and Migratory Groups on [1,n] Suprafacial Shift Reactions. Confirmation of Aromatic and Antiaromatic Transition-State Character by Ring-Current Analysis

Joseph Clarke, Patrick W. Fowler, Scott Gronert and James R. Keeffe

J. Org. Chem., 2016, 81, 8777
DOI: 10.1021/acs.joc.6b01261

Understanding the electronic pi-system of 2D covalent organic frameworks with Wannier functions

Konrad Merkel, Johannes Greiner and Frank Ortmann

Sci Rep, 2023, 13
DOI: 10.1038/s41598-023-28285-w

Heteroatom effects on aromaticity of five-membered rings in acenaphthylene analogs

Jelena Đurđević Nikolić, Slađana Đorđević and Slavko Radenković

J Mol Model, 2020, 26
DOI: 10.1007/s00894-020-04543-w

Aromaticity in Pericyclic Transition State Structures? A Critical Rationalisation Based on the Topological Analysis of Electron Density

Luis R. Domingo, Mar Ríos‐Gutiérrez, Eduardo Chamorro and Patricia Pérez

ChemistrySelect, 2016, 1, 6026
DOI: 10.1002/slct.201601384

Synthesis, Aromaticity, and Application of peri‐Pentacenopentacene: Localized Representation of Benzenoid Aromatic Compounds

Tanguy Jousselin‐Oba, Masashi Mamada, Karen Wright, Jérome Marrot, Chihaya Adachi, Abderrahim Yassar and Michel Frigoli

Angewandte Chemie, 2022, 134
DOI: 10.1002/ange.202112794

C84Cl30, A non-classical fullerene chloride featuring local aromatic motifs. Evaluation of 13C NMR and aromatic patterns from DFT calculations

Alvaro Muñoz-Castro

Chemical Physics Letters, 2024, 857, 141693
DOI: 10.1016/j.cplett.2024.141693

Craig-Möbius type antiaromatic chelate ring

Shanti G. Patra

Chemical Physics Letters, 2020, 741, 137093
DOI: 10.1016/j.cplett.2020.137093

Response to “The Seven‐Membered Ring in Bis‐Azuleno‐Naphthalene is Non‐Aromatic”

Keiji Uehara, Peifeng Mei, Tomohisa Murayama, Fumito Tani, Hironobu Hayashi, Mitsuharu Suzuki, Naoki Aratani and Hiroko Yamada

Eur J Org Chem, 2019, 2019, 860
DOI: 10.1002/ejoc.201801766

BODIPY‐Based Antiaromatic Macrocycles: Facile Synthesis by Knoevenagel Condensation and Unusual Aggregation‐Enhanced Two‐Photon Absorption Properties

Ming Hui Chua, Taeyeon Kim, Zheng Long Lim, Tullimilli Y. Gopalakrishna, Yong Ni, Jianwei Xu, Dongho Kim and Jishan Wu

Chemistry A European J, 2018, 24, 2232
DOI: 10.1002/chem.201705271

An Anionic Amido‐Substituted Seven‐Vertex Siliconoid Cluster

Jan Keuter, Maria Dimitrova, Oliver Janka, Alexander Hepp, Raphael J. F. Berger and Felicitas Lips

Chemistry A European J, 2022, 28
DOI: 10.1002/chem.202201473

On the aromaticity and stability of benzynes in the ground and lowest‐lying triplet excited states

Rodrigo Báez‐Grez and Ricardo Pino‐Rios

J Comput Chem, 2024, 45, 6
DOI: 10.1002/jcc.27214

Doubly Strapped Redox-Switchable 5,10,15,20-Tetraaryl-5,15-diazaporphyrinoids: Promising Platforms for the Evaluation of Paratropic and Diatropic Ring-Current Effects

Hikari Ochiai, Ko Furukawa, Haruyuki Nakano and Yoshihiro Matano

J. Org. Chem., 2021, 86, 2283
DOI: 10.1021/acs.joc.0c02433

Aromaticity Competition in Differentially Fused Borepin-Containing Polycyclic Aromatics

Reid E. Messersmith, Maxime A. Siegler and John D. Tovar

J. Org. Chem., 2016, 81, 5595
DOI: 10.1021/acs.joc.6b00927

Aromaticity in Isoelectronic Analogues of Benzene, Carborazine and Borazine, from Electronic Structure and Magnetic Property

Yang Wu, Xiufen Yan, Zeyu Liu, Tian Lu, Mengdi Zhao, Jingbo Xu and Jiaojiao Wang

Chemistry A European J, 2024, 30
DOI: 10.1002/chem.202403369

Some Tautomers of Dacarbazine - A DFT Study

Lemi Türker

EJCS, 2022, 47
DOI: 10.34198/ejcs.9123.4762

Regioisomeric Engineering for Multicharge and Spin Stabilization in Two-Electron Organic Catholytes

H. T. Katie Chung, Tim K. Schramm, Martin Head-Gordon, James Shee and F. Dean Toste

J. Am. Chem. Soc., 2025, 147, 2115
DOI: 10.1021/jacs.4c16027

Orbital-Weighted Dual Descriptor for the Study of Local Reactivity of Systems with (Quasi-) Degenerate States

Ricardo Pino-Rios, Diego Inostroza, Gloria Cárdenas-Jirón and William Tiznado

J. Phys. Chem. A, 2019, 123, 10556
DOI: 10.1021/acs.jpca.9b07516

Quantification of molecular aromaticity as a predictive factor of astrophysical significance

Luis Alvarez-Thon, Timothy J. Lee, Ryan C. Fortenberry and Natalia Inostroza-Pino

A&A, 2022, 662, A106
DOI: 10.1051/0004-6361/202243253

How local is “local”? Deep learning reveals locality of the induced magnetic field of polycyclic aromatic hydrocarbons

Yair Davidson, Aviad Philipp, Sabyasachi Chakraborty, Alex M. Bronstein and Renana Gershoni-Poranne

The Journal of Chemical Physics, 2025, 162
DOI: 10.1063/5.0257558

Unlocking Twofold Oxidation in Phenothiazine Polymers for Application in Symmetric All-Organic Anionic Batteries

Robin Wessling, Hendrik Koger, Fabian Otteny, Maximilian Schmidt, Arthur Semmelmaier and Birgit Esser

ACS Appl. Polym. Mater., 2024, 6, 7956
DOI: 10.1021/acsapm.4c00500

Rare earth stibolyl and bismolyl sandwich complexes

Noah Schwarz, Florian Bruder, Valentin Bayer, Eufemio Moreno-Pineda, Sebastian Gillhuber, Xiaofei Sun, Joris van Slageren, Florian Weigend and Peter W. Roesky

Nat Commun, 2025, 16
DOI: 10.1038/s41467-024-55474-6

φ-Aromaticity in prismatic {Bi6}-based clusters

Benjamin Peerless, Andreas Schmidt, Yannick J. Franzke and Stefanie Dehnen

Nat. Chem., 2023, 15, 347
DOI: 10.1038/s41557-022-01099-5

On the Aromaticity and 13C-NMR Pattern of Pentagonal-Pyramidal Hexamethylbenzene Dication [C6(CH3)6]2+: A {C5(CH3)5}−–{CCH3}3+ Aggregate

Desmond MacLeod-Carey and Alvaro Muñoz-Castro

Chemistry, 2021, 3, 1363
DOI: 10.3390/chemistry3040097

Stereoselective Syntheses, Structures, and Properties of Extremely Distorted Chiral Nanographenes Embedding Hextuple Helicenes

Myriam Roy, Veronika Berezhnaia, Marco Villa, Nicolas Vanthuyne, Michel Giorgi, Jean‐Valère Naubron, Salomé Poyer, Valérie Monnier, Laurence Charles, Yannick Carissan, Denis Hagebaum‐Reignier, Jean Rodriguez, Marc Gingras and Yoann Coquerel

Angew Chem Int Ed, 2020, 59, 3264
DOI: 10.1002/anie.201913200

Photocatalytic Aqueous CO2 Reduction to CO and CH4 Sensitized by Ullazine Supramolecular Polymers

Oliver Dumele, Luka Đorđević, Hiroaki Sai, Thomas J. Cotey, M. Hussain Sangji, Kohei Sato, Adam J. Dannenhoffer and Samuel I. Stupp

J. Am. Chem. Soc., 2022, 144, 3127
DOI: 10.1021/jacs.1c12155

On the aromaticity and photophysics of 1-arylbenzo[a]imidazo[5,1,2-cd]indolizines as bicolor fluorescent molecules for barium tagging in the study of double-beta decay of 136Xe

Eric Iván Velazco-Cabral, Fernando Auria-Luna, Juan Molina-Canteras, Miguel A Vázquez, Iván Rivilla and Fernando P Cossío

Beilstein J. Org. Chem., 2025, 21, 1627
DOI: 10.3762/bjoc.21.126

Endohedral Plumbaspherenes of the Group 9 Metals: Synthesis, Structure and Properties of the [M@Pb12]3− (M=Co, Rh, Ir) Ions

Ai‐Min Li, Yi Wang, Domonique O. Downing, Fu Chen, Peter Zavalij, Alvaro Muñoz‐Castro and Bryan W. Eichhorn

Chemistry A European J, 2020, 26, 5824
DOI: 10.1002/chem.201905451

Synergistic effect of curcumin and activated carbon catalyst enhancing hydrogen production from biomass pyrolysis

Teguh Suprianto, Winarto, Widya Wijayanti and I.N.G. Wardana

International Journal of Hydrogen Energy, 2021, 46, 7147
DOI: 10.1016/j.ijhydene.2020.11.211

Bonding in a Crystalline Tri‐Thorium Cluster: Not σ‐Aromatic But Still Unique

Dariusz W. Szczepanik

Angewandte Chemie, 2022, 134
DOI: 10.1002/ange.202204337

Switchable Aromaticity in an Isostructural Mn Phthalocyanine Series Isolated in Five Separate Redox States

Camden Hunt, Madeline Peterson, Cassidy Anderson, Tieyan Chang, Guang Wu, Steve Scheiner and Gabriel Ménard

J. Am. Chem. Soc., 2019, 141, 2604
DOI: 10.1021/jacs.8b12899

Correspondence on “How Aromatic Are Molecular Nanorings? The Case of a Six‐Porphyrin Nanoring”**

Jie‐Ren Deng, David Bradley, Michael Jirásek, Harry L. Anderson and Martin D. Peeks

Angew Chem Int Ed, 2022, 61
DOI: 10.1002/anie.202201231

Reexamination of NICSπ,zz: Height Dependence, Off-Center Values, and Integration

Amnon Stanger

J. Phys. Chem. A, 2019, 123, 3922
DOI: 10.1021/acs.jpca.9b02083

Benzo[b]thiophene Fusion Enhances Local Borepin Aromaticity in Polycyclic Heteroaromatic Compounds

Reid E. Messersmith, Sangeeta Yadav, Maxime A. Siegler, Henrik Ottosson and John D. Tovar

J. Org. Chem., 2017, 82, 13440
DOI: 10.1021/acs.joc.7b02512

[Sn8]6−‐Bridged Mixed‐Valence ZnI/ZnIIin {[K2ZnSn8(ZnMes)]2}4−Inverse Sandwich‐Type Cluster Supported by a ZnI−ZnIBond

Hong‐Lei Xu, Nikolay V. Tkachenko, Alvaro Muñoz‐Castro, Alexander I. Boldyrev and Zhong‐Ming Sun

Angew Chem Int Ed, 2021, 60, 9990
DOI: 10.1002/anie.202102578

The Aromatic Character of Diindeno[2,1-b:2′,1′-h]biphenylene

Amnon Stanger

Org. Lett., 2022, 24, 1243
DOI: 10.1021/acs.orglett.2c00104

Synthesis of a highly aromatic and planar dehydro [10]annulene derivative

Karnjit Parmar, Christa S. Blaquiere, Brianna E. Lukan, Sydnie N. Gengler and Michel Gravel

Nat. Synth, 2022, 1, 696
DOI: 10.1038/s44160-022-00135-z

Quantitative Assessment of Aromaticity and Antiaromaticity Utilizing Vibrational Spectroscopy

Dani Setiawan, Elfi Kraka and Dieter Cremer

J. Org. Chem., 2016, 81, 9669
DOI: 10.1021/acs.joc.6b01761

Harmonic Oscillator Model of Aromaticity for Organometallics Containing the Os–C Bond

Qingfu Ye and Jun Zhu

Organometallics, 2023, 42, 2369
DOI: 10.1021/acs.organomet.3c00257

Simultaneous Optimization of Both Electrocyclization and Cycloreversion Reactions of Diarylethene Photoswitches for Solar‐Energy Storage

Jun Wang, Thillaiarasi Sukumar, D. Sravanakumar Perumalla, Baswanth Oruganti and Bo Durbeej

ChemPhotoChem, 2025, 9
DOI: 10.1002/cptc.202400418

Substituent Effect in the Cation Radicals of Monosubstituted Benzenes

Jan Cz. Dobrowolski, Wojciech M. Dudek, Grażyna Karpińska and Anna Baraniak

IJMS, 2021, 22, 6936
DOI: 10.3390/ijms22136936

Probing the Structural and Electronic Properties of the Anionic and Neutral Tellurium-Doped Boron Clusters TeBnq (n = 3–16, q = 0, −1)

Yong-Hang Zhang, Huai-Qian Wang, Hui-Fang Li, Jin-Kun Zeng, Hao Zheng, Xun-Jie Mei, Jia-Ming Zhang, Kai-Le Jiang, Bo Zhang and Wen-Hai Wu

J. Phys. Chem. A, 2024, 128, 5459
DOI: 10.1021/acs.jpca.4c00907

Stereoelectronic Influence of a “Spectator” Propargylic Substituent Can Override Aromaticity Effects in Radical Peri-Cyclizations en Route to Expanded Polyaromatics

Audrey M. Hughes, Gabriel dos Passos Gomes and Igor V. Alabugin

J. Org. Chem., 2019, 84, 1853
DOI: 10.1021/acs.joc.8b02779

Calculations of magnetically induced current densities: theory and applications

Dage Sundholm, Heike Fliegl and Raphael J.F. Berger

WIREs Comput Mol Sci, 2016, 6, 639
DOI: 10.1002/wcms.1270

Polyazulenes and Polynaphthalenes: Prediction and Computational Study

Alexandre Costa and A. López‐Castillo

ChemistrySelect, 2018, 3, 11779
DOI: 10.1002/slct.201802711

A versatile solvent-free synthesis of novel pyrazolone-1,3-dithiolan and pyrazolone-1,3-dithiole hybrids

Jaber Salehzadeh and Farough Nasiri

Res Chem Intermed, 2023, 49, 4621
DOI: 10.1007/s11164-023-05087-3

Intramolecular Charge Transfer in Antiaromatic Donor/Acceptor‐Fused s‐Indacenes

Isabella S. Demachkie, Michael P. Miller, Gabrielle I. Warren, Joshua E. Barker, Eric T. Strand, Lev N. Zakharov and Michael M. Haley

Angew Chem Int Ed, 2025, 64
DOI: 10.1002/anie.202420989

Positive charge delocalization and anti‐aromaticity of cations generated by protonation of benzo[a]fluoranthenes in superacid

Takao Okazaki, Haruki Yamashita and Toshikazu Kitagawa

J of Physical Organic Chem, 2024, 37
DOI: 10.1002/poc.4647

The Relative Stability of Indole Isomers Is a Consequence of the Glidewell-Lloyd Rule

Ricardo Pino-Rios and Miquel Solà

J. Phys. Chem. A, 2021, 125, 230
DOI: 10.1021/acs.jpca.0c09549

Effect of the meso/beta halogenation in the photoelectronic properties and aromaticity of expanded porphyrins

Ricardo Pino-Rios and Gloria Cárdenas-Jirón

Journal of Photochemistry and Photobiology A: Chemistry, 2019, 385, 112052
DOI: 10.1016/j.jphotochem.2019.112052

Coronene and BN isosters of coronene: Revealing the electron density distribution using magnetic shielding maps

Muntadar A.H. Al-Yassiri and Marija Baranac-Stojanović

Computational and Theoretical Chemistry, 2025, 1252, 115369
DOI: 10.1016/j.comptc.2025.115369

A Study on the Aromaticity of [n]Circulene (n = 3–8)

Satewaerdi Helili and Ablikim Kerim

J of Physical Organic Chem, 2025, 38
DOI: 10.1002/poc.70032

Evaluation of Aromaticity for Open‐Shell Singlet Dicyclopenta‐Fused Acenes and Polyacenes Based on a Magnetically Induced Current

Takanori Nagami, Jun‐ya Fujiyoshi, Takayoshi Tonami, Ken‐ichiro Watanabe, Masaki Yamane, Kenji Okada, Ryohei Kishi, Masayoshi Nakano, Benoît Champagne and Vincent Liégeois

Chemistry A European J, 2018, 24, 13457
DOI: 10.1002/chem.201802696

Nucleus Independent Chemical Shift (NICS) at Small Distances from the Molecular Plane: The Effect of Electron Density

Amnon Stanger

ChemPhysChem, 2023, 24
DOI: 10.1002/cphc.202300080

Aromaticity of 1-Heterocyclopropenes Containing an Atom of Group 14 or 4

R. R. Aysin, L. A. Leites and S. S. Bukalov

Organometallics, 2020, 39, 2749
DOI: 10.1021/acs.organomet.0c00351

Synthesis and Characterization of a 1,2,4-Diazarsolide Anion

William D. Jobbins, Bono van IJzendoorn and Meera Mehta

Organometallics, 2025, 44, 14
DOI: 10.1021/acs.organomet.4c00476

Light-Responsive Pyrazine-Based Systems: Probing Aromatic Diarylethene Photocyclization

Jovana V. Milić, Cédric Schaack, Nora Hellou, Florin Isenrich, Renana Gershoni-Poranne, Dmytro Neshchadin, Sylvain Egloff, Nils Trapp, Laurent Ruhlmann, Corinne Boudon, Georg Gescheidt, Jeanne Crassous and François Diederich

J. Phys. Chem. C, 2018, 122, 19100
DOI: 10.1021/acs.jpcc.8b05019

A Computational Investigation on the Characteristic Electron Delocalization of Symmetrical Squaraine Dyes

Santosh Raut, Mahesh Wakhradkar, Anup Thomas and Krishna Chaitanya Gunturu

ChemistrySelect, 2025, 10
DOI: 10.1002/slct.202501788

Stereoselective Syntheses, Structures, and Properties of Extremely Distorted Chiral Nanographenes Embedding Hextuple Helicenes

Myriam Roy, Veronika Berezhnaia, Marco Villa, Nicolas Vanthuyne, Michel Giorgi, Jean‐Valère Naubron, Salomé Poyer, Valérie Monnier, Laurence Charles, Yannick Carissan, Denis Hagebaum‐Reignier, Jean Rodriguez, Marc Gingras and Yoann Coquerel

Angewandte Chemie, 2020, 132, 3290
DOI: 10.1002/ange.201913200

The B2 Structural Motif as a Tool for Modulating Ring Currents in Monocyclic Li Clusters

Slađana Đorđević and Slavko Radenković

Chemistry, 2021, 3, 1063
DOI: 10.3390/chemistry3030077

The counterintuitive aromaticity of bent metallabenzenes: A theoretical exploration

Quan Zhou, Xiao-Min Chen, Xujie Qin, Zhe-Ning Chen, Jun Chen and Wei Zhuang

Chinese Chemical Letters, 2025, 36, 109770
DOI: 10.1016/j.cclet.2024.109770

Resolving host-guest interactions between pillararenes and homoserine lactones to restrain bacterial quorum sensing

Otso I.V. Luotonen, Ekaterina Osmekhina, Eduardo Anaya-Plaza, Sandra Kaabel, Adam L. Harmat, Maria Sammalkorpi, Christopher Jonkergouw, Markus B. Linder and Mauri A. Kostiainen

Cell Reports Physical Science, 2024, 5, 102089
DOI: 10.1016/j.xcrp.2024.102089

Aromatic changes in isoelectronic derivatives of phenalenyl radicals by central carbon replacement

Goar Sánchez-Sanz, Cristina Trujillo, Ibon Alkorta and José Elguero

Tetrahedron, 2016, 72, 4690
DOI: 10.1016/j.tet.2016.06.050

Regium Bonds between Silver(I) Pyrazolates Dinuclear Complexes and Lewis Bases (N2, OH2, NCH, SH2, NH3, PH3, CO and CNH)

Ibon Alkorta, Cristina Trujillo, Goar Sánchez-Sanz and José Elguero

Crystals, 2020, 10, 137
DOI: 10.3390/cryst10020137

DFT and NBO computational calculations support Schleyer’s hyperconjugative enhancement of aromaticity concept

Hamed Esfandbod, Zohreh Mirjafary, Morteza Rouhani and Hamid Saeidian

Struct Chem, 2023, 34, 2335
DOI: 10.1007/s11224-023-02163-7

NMR detects molecular interactions of graphene with aromatic and aliphatic hydrocarbons in water

Elena V Bichenkova, Arun P A Raju, Kepa K Burusco, Ian A Kinloch, Kostya S Novoselov and David J Clarke

2D Mater., 2017, 5, 015003
DOI: 10.1088/2053-1583/aa8abe

Antiaromaticity of Cycloheptatrienyl Anions: Structure, Acidity, and Magnetic Properties

Rinat F. Salikov, Alexander Y. Belyy, Matvey K. Ilyushchenko, Dmitry N. Platonov, Alena D. Sokolova and Yury V. Tomilov

Chemistry A European J, 2024, 30
DOI: 10.1002/chem.202401041

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

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

Angew Chem Int Ed, 2024, 63
DOI: 10.1002/anie.202320144

4π‐Electron B–N Monocycles: Stability and (Anti)aromaticity

Marija Baranac‐Stojanović

Eur J Org Chem, 2017, 2017, 5163
DOI: 10.1002/ejoc.201700959

NICS – Past and Present

Amnon Stanger

Eur J Org Chem, 2020, 2020, 3120
DOI: 10.1002/ejoc.201901829

In-Depth Theoretical Investigations of Borazine’s Aromaticity: Tailoring Electron Delocalization through Substituent Effects

Alex-Cristian Tomut, Ionut-Tudor Moraru and Gabriela Nemes

Molecules, 2024, 29, 4902
DOI: 10.3390/molecules29204902

Singlet/Triplet State Anti/Aromaticity of CyclopentadienylCation: Sensitivity to Substituent Effect

Milovan Stojanović, Jovana Aleksić and Marija Baranac-Stojanović

Chemistry, 2021, 3, 765
DOI: 10.3390/chemistry3030055

Synthesis, Photophysical Properties, and Aromaticity of Pyrazine-Fused Tetrazapentalenes

Vincent S. Gutierrez, Axel Arnault, Véronique Ferreira, Albert Artigas, Denis Hagebaum-Reignier, Yannick Carissan, Yoann Coquerel, Marie-Aude Hiebel and Franck Suzenet

J. Org. Chem., 2022, 87, 13653
DOI: 10.1021/acs.joc.2c01308

The n,π* States of Heteroaromatics: When are They the Lowest Excited States and in What Way Can They Be Aromatic or Antiaromatic?

Nathalie Proos Vedin, Sílvia Escayola, Slavko Radenković, Miquel Solà and Henrik Ottosson

J. Phys. Chem. A, 2024, 128, 4493
DOI: 10.1021/acs.jpca.4c02580

Aromaticity and Optical Activity

Veronica L. Murphy, Adam Reyes and Bart Kahr

J. Am. Chem. Soc., 2016, 138, 25
DOI: 10.1021/jacs.5b11138

Global aromaticity at the nanoscale

Michel Rickhaus, Michael Jirasek, Lara Tejerina, Henrik Gotfredsen, Martin D. Peeks, Renée Haver, Hua-Wei Jiang, Timothy D. W. Claridge and Harry L. Anderson

Nat. Chem., 2020, 12, 236
DOI: 10.1038/s41557-019-0398-3

Efficient synthesis, spectroscopic characterization and DFT based studies of novel 1-amide 4-sulfonamide-1,2,3-triazole derivatives

Sarvenaz Rouhi Bonyad, Zohreh Mirjafary, Hamid Saeidian and Morteza Rouhani

Journal of Molecular Structure, 2019, 1197, 164
DOI: 10.1016/j.molstruc.2019.07.032

Aromaticity Reversal Induced by Vibrations in Cyclo[16]carbon

Igor Rončević, Freddie J. Leslie, Max Rossmannek, Ivano Tavernelli, Leo Gross and Harry L. Anderson

J. Am. Chem. Soc., 2023, 145, 26962
DOI: 10.1021/jacs.3c10207

When are Antiaromatic Molecules Paramagnetic?

Rashid R. Valiev, Glib V. Baryshnikov, Rinat T. Nasibullin, Dage Sundholm and Hans Ågren

J. Phys. Chem. C, 2020, 124, 21027
DOI: 10.1021/acs.jpcc.0c01559

Synthesis and Properties of Twisted and Helical Azulene Oligomers and Azulene‐Based Polycyclic Hydrocarbons

Takahiro Tsuchiya, Makoto Higashibeppu and Yasuhiro Mazaki