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Results: 93

Cédric Colomban, Carles Fuertes-Espinosa, Sébastien Goeb, Marc Sallé, Miquel Costas, Lluís Blancafort, Xavi Ribas
Self-assembled Cofacial Zinc Porphyrin Supramolecular Nanocapsules as tuneable 1O2 Photosensitizers
Chem. Eur. J., 2018, 24, 4371
DOI: 10.1002/chem.201705531
Keywords: Fullerenes, Nanocages, Photochemistry, Supramolecular chemistry, Light-driven synthesis

Jamie Conyard, Ismael A. Heisler, Yohan Chan, Philip C. Bulman Page, Stephen R. Meech, Lluís Blancafort
A new twist in the photophysics of the GFP chromophore: a volume-conserving molecular torsion couple
Chem. Sci., 2018, 9, 1803-1812
DOI: 10.1039/c7sc04091a
Keywords: Computational chemistry, Confined space, Excited states, Photochemistry, Spectroscopy

Lluís Blancafort, Quan-Song Li, Annapaola Migani, Xing-Liang Peng, Ze-Sheng Li
Theoretical study of non-Hammett vs Hammett behaviour in the thermolysis and photolysis of arylchlorodiazirines
Phys. Chem. Chem. Phys., 2018, 20, 1181-1188
DOI: 10.1039/C7CP07281C
Keywords: Computational chemistry, Excited states, Light-driven synthesis, Reaction mechanisms, Real-space analysis

Lluís Blancafort, Alexander A. Voityuk
Thermally induced hopping model for long-range triplet excitation energy transfer in DNA
Phys. Chem. Chem. Phys., 2018, 20, 4997-5000
DOI: 10.1039/c7cp07811k
Keywords: Computational chemistry, Electron and energy transfer, Photochemistry

Annapaola Migani, Lluís Blancafort
What Controls Photocatalytic Water Oxidation on Rutile TiO2(110) under Ultra-High-Vacuum Conditions?
J. Am. Chem. Soc., 2017, 139, 11845–11856
DOI: 10.1021/jacs.7b05121
Keywords: Computational chemistry, Excited states, Photocatalysis, Light-driven synthesis, Reaction mechanisms

Maria A. Trachsel, Simon Lobsiger, Tobias Schär, Lluís Blancafort, Samuel Leutwyler
Planarizing cytosine: The S1 state structure, vibrations, and nonradiative dynamics of jet-cooled 5,6-trimethylenecytosine
J. Chem. Phys., 2017, 146, 244308
DOI: 10.1063/1.4989465

Jamie Tay, Michael A. Parkes, Kiri Addison, Yohan Chan, Lijuan Zhang, Helen C. Hailes, Philip C. Bulman Page, Stephen R. Meech, Lluís Blancafort, Helen H. Fielding
The Effect of Conjugation on the Competition between Internal Conversion and Electron Detachment: A Comparison between Green Fluorescent and Red Kaede Protein Chromophores
J. Phys. Chem. Lett., 2017, 8, 765-771

Lluís Blancafort, Alexander A. Voityuk
Direct estimation of the transfer integral for photoinduced electron transfer from TD DFT calculations
Phys. Chem. Chem. Phys., 2017, 19, 31007-31010
DOI: 10.1039/C7CP06152H
Keywords: Computational chemistry, Electron and energy transfer, Excited states, Method development

Quansong Li, Angelo Giussani, Javier Segarra-Martí, Artur Nenov, Ivan Rivalta, Alexander A. Voityuk, Shaul Mukamel, Daniel Roca-Sanjuán, Marco Garavelli, Lluís Blancafort
Multiple Decay Mechanisms and 2D-UV Spectroscopic Fingerprints of Singlet Excited Solvated Adenine-Uracil Monophosphate
Chem-Eur J., 2016, 22, 7497–7507
DOI: 10.1002/chem.201505086

Roberto Improta, Fabrizio Santoro, Lluís Blancafort
Quantum Mechanical Studies on the Photophysics and the Photochemistry of Nucleic Acids and Nucleobases
Chem. Rev., 2016, 116, 3540-3593
DOI: 10.1021/acs.chemrev.5b00444


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