Results: 91
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
Lluís Blancafort, Alexander A. Voityuk
Exciton delocalization, charge transfer, and electronic coupling for singlet excitation energy transfer between stacked nucleobases in DNA: An MS-CASPT2 study
J. Chem. Phys., 2014, 140, 095102
DOI: 10.1063/1.4867118
Cristina Butchosa, Sílvia Simon, Lluís Blancafort, Alexander A. Voityuk
On the performance of the Kohn–Sham orbital approach in the calculation of electron transfer parameters. The three state model
Phys. Chem. Chem. Phys., 2014, 16, 17154-17162
DOI: 10.1039/c4cp02117g