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Results: 79

Josep Albero, Alfonso Vidal, Annapaola Migani, Patricia Concepción, Lluís Blancafort, Hermenegildo García
Phosphorus-Doped Graphene as a Metal-Free Material for Thermochemical Water Reforming at Unusually Mild Conditions
ACS Sustainable Chem. Eng., 2019, 7, 838-846
DOI: 10.1021/acssuschemeng.8b04462
Keywords: Catalysis, Density Functional Theory, Reaction mechanisms

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.201801649
Keywords: 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.201900796
Keywords: 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.201900204
Keywords: 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.201900112
Keywords: 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.9b04573
Keywords: 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.13035
Keywords: Computational chemistry, Excited states, Photochemistry, Reaction mechanisms, Spectroscopy

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


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