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Results: 108

Mila Miroshnichenko, Helen Hölzel, Edvinas Orentas, Karolis Kazlauskas, Pedro Ferreira, Fabienne Dumoulin, Carles Alcaide, Miquel Solà, Roger Bresolí‐Obach, Santi Nonell, Pankaj Bharmoria, Kasper Moth‐Poulsen
Bidirectional Photoswitching of a Tailored Azobenzene with Red and Far‐Red Light Involving Triplet Sensitization in an Aqueous System
Advanced Science, 2026, [], e75155
DOI: 10.1002/advs.75155
OpenAccess: Link
Keywords: Electron and energy transfer, Excited states, Joint Exp-Comp, Reaction mechanisms

Miquel Solà, Luigi Cavallo
Energetic Preferences in Cyclic π-Conjugated Systems: Aromaticity Localizes and Antiaromaticity Spreads
Chemistry, 2026, 8, 7-
DOI: 10.3390/chemistry8010007
OpenAccess: Link
Keywords: Aromaticity, Excited states

Ouissam El Bakouri, Simon T. Clausing, Lluís Blancafort
Hydride Transfer Limits Hydrogen Evolution Efficiency With Zn Porphyrin Photocatalysts
Chemistry — An Asian Journal, 2026, 21, ASAP-
DOI: 10.1002/asia.70665
OpenAccess: Link
Keywords: Aromaticity, Computational chemistry, Excited states, Homogeneous catalysis

Iqra Sarfraz, Sergei F. Vyboishchikov, Miquel Solà, Albert Artigas
A simplified machine learning workflow for identifying potential singlet fission candidates: benzannulated biphenylenes as a case study
J. Mater. Chem. C, 2026, 14, 7190-7198
DOI: 10.1039/D5TC04137F
OpenAccess: Link
Keywords: Aromaticity, Chemical bonding, Electron and energy transfer, Excited states, Spin states

Germano Giuliani, Minyong Li, Xingye Yang, Marco Paolino, Federica Castriconi, Andrea Cappelli, Lluís Blancafort
Tuning sulfur-induced red shift of coelenteramide fluorescence: linking experiment and theory
Journal of Photochemistry and Photobiology A: Chemistry, 2026, 477, 117121-
DOI: 10.1016/j.jphotochem.2026.117121
OpenAccess: –
Keywords: Biomolecules and biomaterials, Computational chemistry, Excited states, Spectroscopy

Lluís Blancafort, Javier Segarra-Martí
Foreword to the special collection “New approaches and applications to excited state computations: high-level potential energy surfaces and dynamics”
Theor Chem Acc, 2026, 145, ASAP-
DOI: 10.1007/s00214-026-03291-z
OpenAccess: –
Keywords: Computational chemistry, Excited states, Theoretical Chemistry, Quantum Chemistry

Lukas Naimovicius, Manvydas Dapkevičius, Edvinas Radiunas, Mila Miroshnichenko, Gediminas Kreiza, Carles Alcaide, Paulius Baronas, Yoichi Sasaki, Nobuhiro Yanai, Nobuo Kimizuka, Andrew Brian Pun, Miquel Solà, Pankaj Bharmoria, Karolis Kazlauskas, Kasper Moth-Poulsen
Enhancing the Statistical Probability Factor in Triplet-Triplet Annihiltaion Photon Upconversion via TIPS Functionalization
Chem. Sci., 2025, 16, 20255-20264
DOI: 10.1039/d5sc05248c
OpenAccess: Link
Keywords: Excited states, Joint Exp-Comp, Non-covalent interactions, Photovoltaic materials, Spin states

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

Iqra Sarfraz, Anna Roglans, Albert Artigas, Miquel Solà
Exploring the Impact of Topological Variations on the Stability of the Ground Singlet and Lowest‐Lying Triplet States of Catacondensed Hexabenzenoids
Eur J Org Chem, 2025, 28, e202500376
DOI: 10.1002/ejoc.202500376
OpenAccess: Link
Keywords: Aromaticity, Chemical bonding, Excited states, Spin states