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Results: 46

Gibu George, Anton J. Stasyuk, Miquel Solà
Prediction of the ground state for indenofluorene-type systems with Clar’s π-sextet model
Chem. Sci., 2024, [], ASAP-
DOI: 10.1039/D4SC03465A
Keywords: Aromaticity, Chemical bonding, Excited states, Spin states

O.A. Stasyuk, A.A. Voityuk, A.J. Stasyuk
Facilitating Electron Transfer by Resizing Cyclocarbon Acceptor from C₁₈ to C₁₆
Chemistry A European J, 2024, 30, e202400215
DOI: 10.1002/chem.202400215
Keywords: Aromaticity, Computational chemistry

Chongwei Zhu, Alix Saquet, Valérie Maraval, Christian Bijani, Xiuling Cui, Albert Poater, Remi Chauvin
From Stilbenes tocarbo ‐Stilbenes: an Encouraging Prospect
Chemistry A European J, 2024, 30, e202400451
DOI: 10.1002/chem.202400451
Keywords: Aromaticity, Chemical bonding, Computational chemistry, Cycloaddition, Excited states

A.J. Stasyuk, Jordi Poater, Henrik Ottosson
A Voyage into Chemical Bonds and Aromaticity
Chemistry A European J, 2024, 30, e202401206
DOI: 10.1002/chem.202401206
Keywords: Aromaticity, Computational chemistry

Roger Monreal-Corona, Anton J. Stasyuk, Miquel Solà, Anna Pla-Quintana, Albert Poater
Unveiling the reaction mechanisms of the synthesis and the excited state intramolecular proton transfer of 2‐(2′‐hydroxyphenyl)imidazo[1,2‐a ]pyridine
ChemPhysChem, 2024, 25, e202400069
DOI: 10.1002/cphc.202400069
Keywords: Aromaticity, Excited states, Reaction mechanisms

Sílvia Escayola, Jorge Labella, Dariusz W. Szczepanik, Albert Poater, Tomas Torres, Miquel Solà, Eduard Matito
From (Sub)Porphyrins to (Sub)Phthalocyanines: Aromaticity Signatures in the UV–Vis Absorption Spectra
Inorg. Chem., 2024, [], ASAP-
DOI: 10.1021/acs.inorgchem.4c03139
Keywords: Aromaticity, Chemical bonding, Joint Exp-Comp, Organometallics

Cong-Cong Shu, Dariusz W. Szczepanik, Alvaro Muñoz-Castro, Miquel Solà, Zhong-Ming Sun
[K₂ (Bi@Pd₁₂ @Bi₂₀ )]^4– : An Endohedral Inorganic Fullerene with Spherical Aromaticity
J. Am. Chem. Soc., 2024, 146, 14166-14173
DOI: 10.1021/jacs.4c03024
Keywords: Aromaticity, Chemical bonding, Joint Exp-Comp, Spin states

Ricardo Pino-Rios, Rodrigo Báez-Grez, Dariusz W. Szczepanik, Miquel Solá
Designing potentially singlet fission materials with an anti-Kasha behaviour
Phys. Chem. Chem. Phys., 2024, 26, 15386-15392
DOI: 10.1039/D4CP01284D
Keywords: Aromaticity, Chemical bonding, Excited states, Photovoltaic materials, Spin states

Olga A. Stasyuk, Alexander A. Voityuk, Anton J. Stasyuk, Miquel Solà
Photoinduced Electron Transfer in Inclusion Complexes of Carbon Nanohoops
Acc. Chem. Res., 2023, 57, 37-46
DOI: 10.1021/acs.accounts.3c00488
Keywords: Aromaticity, Electron and energy transfer, Excited states, Photovoltaic materials, Supramolecular chemistry

Sergio Posada-Pérez, Jordi Poater, Naeimeh Bahri-Laleh, Albert Poater
Metallic–Organic Cages (MOCs) with Heterometallic Character: Flexibility-Enhancing MOFs
Catalysts, 2023, 13, 317-
DOI: 10.3390/catal13020317
Keywords: Aromaticity, Computational chemistry, Nanocages, Non-covalent interactions, Supramolecular chemistry