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Publications

ONIOM(QM:QM′) Electrostatic Embedding Schemes for Photochemistry in Molecular Crystals
Rivera, Dommett, Crespo-Otero, J. Chem. Theory Comput., 2019 [PDF] [Web]

Water Oxidation Catalysed by Quantum-Sized BiVO4
del Olmo, Dommett, Oevreeide, Walsh, Di Tommaso, Crespo-Otero, J. Mater. Chem. A, 2018,6, 24965-24970 [PDF] [Web]

How Inter- and Intramolecular Processes Dictate Aggregation-Induced Emission in Crystals Undergoing Excited-State Proton Transfer
Dommett, Rivera, Crespo-Otero, J. Phys. Chem. Lett. 2017, 8, 6148−6153 [PDF] [Web]

Excited state proton transfer in 2′-hydroxychalcone derivatives
Dommett, Crespo-Otero, Phys. Chem. Chem. Phys., 2017, 19, 2409-2416 [PDF] [Web]