Publications

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Results: 93

Marcos Gil-Sepulcre, Jordan C. Axelson, Joan Aguiló, Lluís Solà-Hernández, Laia Francàs, Albert Poater, Lluís Blancafort, Jordi Benet-Buchholz, Gonzalo Guirado, Lluís Escriche, Antoni Llobet, Roger Bofill, Xavier Sala
Synthesis and Isomeric Analysis of RuII Complexes Bearing Pentadentate Scaffolds
Inorg. Chem. , 2016, 55, 11216-11229
DOI: 10.1021/acs.inorgchem.6b01755
Keywords: Light-driven synthesis, Excited states

Annapaola Migani, Lluís Blancafort
Excitonic Interfacial Proton-Coupled Electron Transfer Mechanism in the Photocatalytic Oxidation of Methanol to Formaldehyde on TiO₂ (110)
J. Am. Chem. Soc., 2016, 138, 16165-16173
DOI: 10.1021/jacs.6b11067

Maria A. Trachsel, Timo Wiedmer, Susan Blaser, Hans-Martin Frey, Quansong Li, Sergi Ruiz-Barragan, Lluís Blancafort, Samuel Leutwyler
The excited-state structure, vibrations, lifetimes, and nonradiative dynamics of jet-cooled 1-methylcytosine
J. Chem. Phys., 2016, 145, 134307
DOI: 10.1063/1.4964091

Xing-Liang Peng, Sergi Ruiz-Barragan, Ze-Sheng Li, Quan-Song Li, Lluís Blancafort
Restricted access to a conical intersection to explain aggregation induced emission in dimethyl tetraphenylsilole
J. Mater. Chem. C, 2016, 4, 2802-2810
DOI: 10.1039/c5tc03322e

Lluís Blancafort, Virginia Ovejas, Raúl Montero, Marta Fernández-Fernández, Asier Longarte
Triplet Mediated C–N Dissociation versus Internal Conversion in Electronically ExcitedN -Methylpyrrole
J. Phys. Chem. Lett., 2016, 7, 1231-1237
DOI: 10.1021/acs.jpclett.6b00195

Huijing Li, Annapaola Migani, Lluís Blancafort, Quansong Li, Zesheng Li
Early events in the photochemistry of 5-diazo Meldrum’s acid: formation of a product manifold in C–N bound and pre-dissociated intersection seam regions
Phys. Chem. Chem. Phys., 2016, 18, 30785-30793
DOI: 10.1039/c6cp06290c

Sergi Ruiz-Barragan, Keiji Morokuma, Lluís Blancafort
Conical Intersection Optimization Using Composed Steps Inside the ONIOM(QM:MM) Scheme: CASSCF:UFF Implementation with Microiterations
J. Chem. Theory Comput., 2015, 11, 1585-1594
DOI: 10.1021/acs.jctc.5b00004

Quansong Li, Benedetta Mennucci, Michael A. Robb, Lluís Blancafort, Carles Curutchet
Polarizable QM/MM Multiconfiguration Self-Consistent Field Approach with State-Specific Corrections: Environment Effects on Cytosine Absorption Spectrum
J. Chem. Theory Comput., 2015, 11, 1674-1682
DOI: 10.1021/ct5010388

Francesca Peccati, Jordi Hernando, Lluís Blancafort, Xavier Solans-Monfort, Mariona Sodupe
Disaggregation-induced fluorescence enhancement of NIAD-4 for the optical imaging of amyloid-β fibrils
Phys. Chem. Chem. Phys., 2015, 17, 19718-19725
DOI: 10.1039/c5cp02728d

Lluís Blancafort
Photochemistry and Photophysics at Extended Seams of Conical Intersection
ChemPhysChem, 2014, 15, 3166-3181
DOI: 10.1002/cphc.201402359