Results: 15
Lucia Viglianti, Ni Xie, Herman H. Y. Sung, Alexander A. Voityuk, Nelson L. C. Leung, Yujie Tu, Clara Baldoli, Ian D. Williams, Ryan T. K. Kwok, Jacky W. Y. Lam, Emanuela Licandro, Lluís Blancafort, Ben Zhong Tang
Unusual Through‐Space Interactions between Oxygen Atoms Mediate Inverse Morphochromism of an AIE Luminogen
Angew. Chem. Int. Ed., 2020, 59, 8552-8559
DOI: 10.1002/anie.201908573Keywords: Computational chemistry, Excited states, Photochemistry, Reaction mechanisms, Real-space analysis
Maria A. Trachsel, Susan Blaser, Simon Lobsiger, Luca Siffert, Hans-Martin Frey, Lluís Blancafort, Samuel Leutwyler
Locating Cytosine Conical Intersections by Laser Experiments andAb Initio Calculations
J. Phys. Chem. Lett., 2020, 11, 3203-3210
DOI: 10.1021/acs.jpclett.0c00779Keywords: Computational chemistry, Excited states, Photochemistry, Spectroscopy
Iker Lamas, Raúl Montero, Virginia Martínez-Martínez, Asier Longarte, Lluís Blancafort
An nπ* gated decay mediates excited-state lifetimes of isolated azaindoles
Phys. Chem. Chem. Phys., 2020, 22, 18639-18645
DOI: 10.1039/D0CP02635BKeywords: Computational chemistry, Excited states, Photochemistry, Reaction mechanisms, Spectroscopy
Rachel Crespo-Otero, Quansong Li, Lluís Blancafort
Exploring Potential Energy Surfaces for Aggregation‐Induced Emission—From Solution to Crystal
Chem. Asian J., 2019, 14, 700-714
DOI: 10.1002/asia.201801649Keywords: Computational chemistry, Excited states, Photochemistry
Jaume Garcia-Amorós, Benjamin Maerz, Marta Reig, Alba Cuadrado, Lluís Blancafort, Elena Samoylova, Dolores Velasco
Picosecond Switchable Azo Dyes
Chem. Eur. J., 2019, 25, 7726-7732
DOI: 10.1002/chem.201900796Keywords: Computational chemistry, Excited states, Photochemistry, Reaction mechanisms
Denis Jacquemin, Lluís Blancafort, Young Min Rhee
Computational Photochemistry
ChemPhotoChem, 2019, 3, 664-665
DOI: 10.1002/cptc.201900204Keywords: Computational chemistry, Excited states, Photochemistry, Spectroscopy
Wei-Lu Ding, Xing-Liang Peng, Gang-Long Cui, Ze-Sheng Li, Lluís Blancafort, Quan-Song Li
Potential‐Energy Surface and Dynamics Simulation of THBDBA: An Annulated Tetraphenylethene Derivative Combining Aggregation‐Induced Emission and Switch Behavior
ChemPhotoChem, 2019, 3, 814-824
DOI: 10.1002/cptc.201900112Keywords: Computational chemistry, Excited states, Photochemistry, Reaction mechanisms
Christopher Grieco, Alex T. Hanes, Lluís Blancafort, Bern Kohler
Effects of Intra- and Intermolecular Hydrogen Bonding on O–H Bond Photodissociation Pathways of a Catechol Derivative
J. Phys. Chem. A, 2019, 123, 5356-5366
DOI: 10.1021/acs.jpca.9b04573Keywords: Computational chemistry, Excited states, Photochemistry, Spectroscopy
Christopher Grieco, Forrest R. Kohl, Yuyuan Zhang, Sangeetha Natarajan, Lluís Blancafort, Bern Kohler
Intermolecular Hydrogen Bonding Modulates O-H Photodissociation in Molecular Aggregates of a Catechol Derivative
Photochem Photobiol, 2019, 95, 163-175
DOI: 10.1111/php.13035Keywords: Computational chemistry, Excited states, Photochemistry, Reaction mechanisms, Spectroscopy
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/c7sc04091aKeywords: Computational chemistry, Confined space, Excited states, Photochemistry, Spectroscopy