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Publications
Results: 11
Olga A. Stasyuk, Alexander A. Voityuk, Anton J. Stasyuk, Miquel Solà
Photoinduced Electron Transfer in Inclusion Complexes of Carbon Nanohoops
Acc. Chem. Res., 2023, [], ASAP-
DOI: 10.1021/acs.accounts.3c00488Keywords: Aromaticity, Electron and energy transfer, Excited states, Photovoltaic materials, Supramolecular chemistry
O. A. Stasyuk, A. A. Voityuk, Miquel Solà, A. J. Stasyuk
γ-graphynes with extended polyyne chains for efficient photoinduced electron transfer in complexes with fullerenes
Carbon, 2023, 215, 118460-
DOI: 10.1016/j.carbon.2023.118460Keywords: Electron and energy transfer, Excited states, Non-covalent interactions, Photovoltaic materials, Supramolecular chemistry
Gibu George, Olga A. Stasyuk, Alexander A. Voityuk, Antony J. Stasyuk, Miquel Solà
Excited state processes in supramolecular complexes of cyclic dibenzopyrrolopyrroles isomers with C60 fullerene
Chemistry A European J, 2023, 29, e202300503
DOI: 10.1002/chem.202300503Keywords: Aromaticity, Electron and energy transfer, Excited states, Photovoltaic materials, Supramolecular chemistry
Jordi Poater, Sílvia Escayola, Albert Poater, Francesc Teixidor, Henrik Ottosson, Clara Viñas, Miquel Solà
Single─Not Double─3D-Aromaticity in an OxidizedCloso Icosahedral Dodecaiodo-Dodecaborate Cluster
J. Am. Chem. Soc., 2023, [], ASAP-
DOI: 10.1021/jacs.3c07335Keywords: Aromaticity, Chemical bonding, Excited states, Nanomaterials
Pau Besalú-Sala, Alexander A. Voityuk, Josep M. Luis, Miquel Solà
Effect of external electric fields in the charge transfer rates of donor–acceptor dyads: A straightforward computational evaluation
J. Chem. Phys, 2023, 158, 244111
DOI: 10.1063/5.0148941Keywords: Chemical bonding, Electron and energy transfer, Excited states, Method development, Photovoltaic materials
Elizaveta F. Petrusevich, Manon H. E. Bousquet, Borys Ośmiałowski, Denis Jacquemin, Josep M. Luis, Robert Zaleśny
Cost-Effective Simulations of Vibrationally-Resolved Absorption Spectra of Fluorophores with Machine-Learning-Based Inhomogeneous Broadening
J. Chem. Theory Comput., 2023, 19, 2304-2315
DOI: 10.1021/acs.jctc.2c01285Keywords: Computational chemistry, Excited states, Machine learning, Method development, Spectroscopy
Sílvia Escayola, Nathalie Proos Vedin, Albert Poater, Henrik Ottosson, Miquel Solà
In the quest of Hückel‐Hückel and Hückel‐Baird double aromatic tropylium (tri)cation and anion derivatives
J. Phys. Chem., 2023, 36, e4447
DOI: 10.1002/poc.4447Keywords: Aromaticity, Chemical bonding, Excited states
O. A. Stasyuk, A. J. Stasyuk, M. Solà, A. A. Voityuk
γ-graphyne: A promising electron acceptor for organic photovoltaics
Materials & Design, 2023, 225, 111526-
DOI: 10.1016/j.matdes.2022.111526Keywords: Electron and energy transfer, Excited states, Supramolecular chemistry
G. George, O. A. Stasyuk, A. A. Voityuk, A. J. Stasyuk, M. Solà
Aromaticity controls the excited-state properties of host–guest complexes of nanohoops
Nanoscale, 2023, 15, 1221-1229
DOI: 10.1039/D2NR04037AKeywords: Aromaticity, Electron and energy transfer, Excited states, Fullerenes, Supramolecular chemistry
Gibu George, Olga A. Stasyuk, Miquel Solà, Anton J. Stasyuk
A step towards rational design of carbon nanobelts with tunable electronic properties
Nanoscale, 2023, [], ASAP-
DOI: 10.1039/D3NR04045CKeywords: Aromaticity, Electron and energy transfer, Excited states, Photovoltaic materials, Supramolecular chemistry