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2019

Picosecond Switchable Azo Dyes

Authors: Jaume Garcia‐Amorós, Benjamin Maerz, Marta Reig, Alba Cuadrado, Lluís Blancafort, Elena Samoylova, Dolores Velasco

Chemistry – A European Journal, 2019, 25, 32, 7726-7732

DOI: 10.1002/chem.201900796

Keywords: Computational chemistry, Excited states, Photochemistry, Reaction mechanisms

Effects of Intra- and Intermolecular Hydrogen Bonding on O–H Bond Photodissociation Pathways of a Catechol Derivative

Authors: Christopher Grieco, Alex T. Hanes, Lluís Blancafort, Bern Kohler

The Journal of Physical Chemistry A, 2019, 123, 25, 5356-5366

DOI: 10.1021/acs.jpca.9b04573

Keywords: Computational chemistry, Excited states, Photochemistry, Spectroscopy

Exploiting the Aromatic Chameleon Character of Fulvenes for Computational Design of Baird‐Aromatic Triplet Ground State Compounds

Authors: Sangeeta Yadav, Ouissam El Bakouri, Kjell Jorner, Hui Tong, Christian Dahlstrand, Miquel Solà, Henrik Ottosson

Chemistry – An Asian Journal, 2019, 14, 10, 1870-1878

DOI: 10.1002/asia.201801821

Keywords: Aromaticity, Density Functional Theory, Electron delocalization, Excited states, Photochemistry

Exploring Potential Energy Surfaces for Aggregation‐Induced Emission—From Solution to Crystal

Authors: Rachel Crespo‐Otero, Quansong Li, Lluís Blancafort

Chemistry – An Asian Journal, 2019, 14, 6, 700-714

DOI: 10.1002/asia.201801649

Keywords: Computational chemistry, Excited states, Photochemistry

Intermolecular Hydrogen Bonding Modulates O‐H Photodissociation in Molecular Aggregates of a Catechol Derivative

Authors: Christopher Grieco, Forrest R. Kohl, Yuyuan Zhang, Sangeetha Natarajan, Lluís Blancafort, Bern Kohler

Photochemistry and Photobiology, 2019, 95, 1, 163-175

DOI: 10.1111/php.13035

Keywords: Computational chemistry, Excited states, Photochemistry, Reaction mechanisms, Spectroscopy

Hypsochromic solvent shift of the charge separation band in ionic donor–acceptor Li+@C60⊂[10]CPP

Authors: Anton J. Stasyuk, Olga A. Stasyuk, Miquel Solà, Alexander A. Voityuk

Chemical Communications, 2019, 55, 75, 11195-11198

DOI: 10.1039/c9cc05787k

Keywords: Density Functional Theory, Electron and energy transfer, Excited states, Fullerenes, Photochemistry

Photoinduced electron transfer and unusual environmental effects in fullerene–Zn-porphyrin–BODIPY triads

Authors: A. J. Stasyuk, O. A. Stasyuk, M. Solà, A. A. Voityuk

Physical Chemistry Chemical Physics, 2019, 21, 45, 25098-25107

DOI: 10.1039/c9cp04104d

Keywords: Density Functional Theory, Electron and energy transfer, Excited states, Fullerenes, Photochemistry

2018

Self‐Assembled Cofacial Zinc–Porphyrin Supramolecular Nanocapsules as Tuneable 1O2 Photosensitizers

Authors: Cédric Colomban, Carles Fuertes‐Espinosa, Sébastien Goeb, Marc Sallé, Miquel Costas, Lluís Blancafort, Xavi Ribas

Chemistry – A European Journal, 2018, 24, 17, 4371-4381

DOI: 10.1002/chem.201705531

Keywords: Fullerenes, Light-driven synthesis, Nanocages, Photochemistry, Supramolecular chemistry

Thermally induced hopping model for long-range triplet excitation energy transfer in DNA

Authors: Lluís Blancafort, Alexander A. Voityuk

Physical Chemistry Chemical Physics, 2018, 20, 7, 4997-5000

DOI: 10.1039/c7cp07811k

Keywords: Computational chemistry, Electron and energy transfer, Photochemistry

A new twist in the photophysics of the GFP chromophore: a volume-conserving molecular torsion couple

Authors: Jamie Conyard, Ismael A. Heisler, Yohan Chan, Philip C. Bulman Page, Stephen R. Meech, Lluís Blancafort

Chemical Science, 2018, 9, 7, 1803-1812

DOI: 10.1039/c7sc04091a

Keywords: Computational chemistry, Confined space, Excited states, Photochemistry, Spectroscopy

2006

Canonical Watson–Crick base pair interactions in π → π* type triplet states

Authors: M Noguera, L Blancafort, M Sodupe, J Bertran

Molecular Physics, 2006, 104, 5-7, 925-931

DOI: 10.1080/00268970500418349

Keywords: Computational chemistry, Excited states, Photochemistry, Reaction mechanisms, Spectroscopy

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