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Results: 97

Cristina Castanyer, Çetin Çelik, Albert Artigas, Anna Roglans, Anna Pla Quintana, AntonJ Stasyuk, Yoko Yamakoshi, Miquel Solà
Enhancement of photoinduced reactive oxygen species generation in open-cage fullerenes
Chem. Sci., 2025, 16, 2673-2681
DOI: 10.1039/D4SC05428H
OpenAccess: Link
Keywords: Electron and energy transfer, Excited states, Joint Exp-Comp, Reaction mechanisms, Spin states

Louis Van Nyvel, Mercedes Alonso, Miquel Solà
Effect of size, charge, and spin state on Hückel and Baird aromaticity in [N ]annulenes
Chem. Sci., 2025, 16, 5613-5622
DOI: 10.1039/D4SC08225G
OpenAccess: Link
Keywords: Aromaticity, Chemical bonding, Excited states, Spin states

Rudraditya Sarkar, Carmelo Naim, Karan Ahmadzadeh, Robert Zaleśny, Denis Jacquemin, Josep M. Luis
Simulations of Two-Photon Absorption Spectra of Fluorescent Dyes: The Impact of Non-Condon Effects
J. Chem. Theory Comput., 2025, 21, 3587-3599
DOI: 10.1021/acs.jctc.4c01545
OpenAccess: Link
Keywords: Excited states, Method development, Nonlinear optical properties, Spectroscopy

Alex Iglesias-Reguant, Izabela Barańska, Damian Plażuk, Robert Zaleśny, Josep M. Luis, Borys Ośmiałowski
Isoelectronic Push–Pull Fluorescent Difluoroborates: Halogen Bonding and Photophysical Properties
J. Org. Chem., 2025, 90, 2790-2799
DOI: 10.1021/acs.joc.4c03077
OpenAccess: Link
Keywords: Computational chemistry, Excited states, Non-covalent interactions, Spectroscopy

Komal Jindal, Atreyee Majumdar, Raghunathan Ramakrishnan
Comment on “Designing potentially singlet fission materials with an anti-Kasha behaviour” by R. Pino-Rios, R. Báez-Grez, D. W. Szczepanik, and M. Solá,Phys. Chem. Chem. Phys. , 2024,26 , 15386
Phys. Chem. Chem. Phys., 2025, 27, 4968-4972
DOI: 10.1039/D4CP02863E
OpenAccess: –
Keywords: Aromaticity, Chemical bonding, Excited states, Photovoltaic materials, Spin states

Ricardo Pino-Rios, Rodrigo Báez-Grez, DariuszW. Szczepanik, Miquel Solà
Reply to the ‘Comment on “Designing potentially singlet fission materials with an anti-Kasha behaviour”’ by K. Jindal, A. Majumdar and R. Ramakrishnan,Phys. Chem. Chem. Phys. , 2025,27 , DOI: 10.1039/D4CP02863E
Phys. Chem. Chem. Phys., 2025, 27, 4973-4975
DOI: 10.1039/d4cp04691a
OpenAccess: Link
Keywords: Aromaticity, Chemical bonding, Excited states, Photovoltaic materials

Ricardo Pino-Rios, Rodrigo Báe-Grez, DariuszW. Szczepanik, Miquel Solà
Correction: Designing potentially singlet fission materials with an anti-Kasha behaviour
Phys. Chem. Chem. Phys., 2025, 27, 4976-4976
DOI: 10.1039/D5CP90023A
OpenAccess: Link
Keywords: Aromaticity, Chemical bonding, Excited states, Photovoltaic materials

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, 15, 13676-13687
DOI: 10.1039/D4SC03465A
OpenAccess: Link
Keywords: Aromaticity, Chemical bonding, Excited states, Spin states

Mario Saletti, Marco Paolino, Jacopo Venditti, Claudia Bonechi, Germano Giuliani, Stefania Lamponi, Giusy Tassone, Antonella Boccia, Chiara Botta, Lluís Blancafort, Federica Poggialini, Chiara Vagaggini, Andrea Cappelli
A Facile Access to Green Fluorescent Albumin Derivatives
ChemBioChem, 2024, 25, e262023008
DOI: 10.1002/cbic.202300862
OpenAccess: –
Keywords: Biomolecules and biomaterials, Computational chemistry, Excited states

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
OpenAccess: Link
Keywords: Aromaticity, Chemical bonding, Computational chemistry, Cycloaddition, Excited states