A theoretical study on cyclacenes: Analytical tight-binding approach

Author:

Battaglia Stefano12ORCID,Le Hai-Anh3,Bendazzoli Gian Luigi4,Faginas-Lago Noelia25ORCID,Leininger Thierry1,Evangelisti Stefano1

Affiliation:

1. Laboratoire de Chimie et Physique Quantiques, IRSAMC, Université Paul Sabatier, 118 Route de Narbonne, F-31062, Toulouse Cedex; France

2. Dipartimento di Chimica; Biologia e Biotecnologie, Università degli Studi di Perugia, Vie Elce di Sotto 8; I-06123 Perugia Italy

3. Department of Chemistry; Northwestern University, 2145 Sheridan Road; Evanston Illinois 60208-3113

4. Dipartimento di Chimica Industriale “Toso Montanari”; Università di Bologna, Viale Risorgimento 4; I-40136 Bologna Italy

5. Consortium for Computational Molecular and Materials Sciences (CMS2); Via Elce di Sotto 8; I-06123 Perugia Italy

Funder

European Union's Horizon 2020 research and innovation programme under the Marie Skłodowska-Curie

TCCM

Fondazione Cassa di Risparmio di Perugia

HPC center CALMIP

H2020 Marie Skłodowska-Curie Actions

Agence Nationale de la Recherche

Publisher

Wiley

Subject

Physical and Theoretical Chemistry,Condensed Matter Physics,Atomic and Molecular Physics, and Optics

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2. When Is a Bond Broken? The Polarizability Perspective.;Angewandte Chemie;2023-10-11

3. The localization spread and polarizability of rings and periodic chains;The Journal of Chemical Physics;2021-09-28

4. Aromatic hydrocarbon belts;Nature Chemistry;2021-04-15

5. Zigzag Hydrocarbon Belts;CCS Chemistry;2021-02

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