Publications

Fast filter by year:

More filters

Results: 91

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

Lluís Blancafort, Alexander A. Voityuk
Thermally induced hopping model for long-range triplet excitation energy transfer in DNA
Phys. Chem. Chem. Phys., 2018, 20, 4997-5000
DOI: 10.1039/c7cp07811k
Keywords: Computational chemistry, Electron and energy transfer, Photochemistry

Annapaola Migani, Lluís Blancafort
What Controls Photocatalytic Water Oxidation on Rutile TiO2(110) under Ultra-High-Vacuum Conditions?
J. Am. Chem. Soc., 2017, 139, 11845–11856
DOI: 10.1021/jacs.7b05121
Keywords: Computational chemistry, Excited states, Photocatalysis, Light-driven synthesis, Reaction mechanisms

Maria A. Trachsel, Simon Lobsiger, Tobias Schär, Lluís Blancafort, Samuel Leutwyler
Planarizing cytosine: The S1 state structure, vibrations, and nonradiative dynamics of jet-cooled 5,6-trimethylenecytosine
J. Chem. Phys., 2017, 146, 244308
DOI: 10.1063/1.4989465

Jamie Tay, Michael A. Parkes, Kiri Addison, Yohan Chan, Lijuan Zhang, Helen C. Hailes, Philip C. Bulman Page, Stephen R. Meech, Lluís Blancafort, Helen H. Fielding
The Effect of Conjugation on the Competition between Internal Conversion and Electron Detachment: A Comparison between Green Fluorescent and Red Kaede Protein Chromophores
J. Phys. Chem. Lett., 2017, 8, 765-771
DOI:10.1021/acs.jpclett.7b00174

Lluís Blancafort, Alexander A. Voityuk
Direct estimation of the transfer integral for photoinduced electron transfer from TD DFT calculations
Phys. Chem. Chem. Phys., 2017, 19, 31007-31010
DOI: 10.1039/C7CP06152H
Keywords: Computational chemistry, Electron and energy transfer, Excited states, Method development

Quansong Li, Angelo Giussani, Javier Segarra-Martí, Artur Nenov, Ivan Rivalta, Alexander A. Voityuk, Shaul Mukamel, Daniel Roca-Sanjuán, Marco Garavelli, Lluís Blancafort
Multiple Decay Mechanisms and 2D-UV Spectroscopic Fingerprints of Singlet Excited Solvated Adenine-Uracil Monophosphate
Chem-Eur J., 2016, 22, 7497–7507
DOI: 10.1002/chem.201505086

Roberto Improta, Fabrizio Santoro, Lluís Blancafort
Quantum Mechanical Studies on the Photophysics and the Photochemistry of Nucleic Acids and Nucleobases
Chem. Rev., 2016, 116, 3540-3593
DOI: 10.1021/acs.chemrev.5b00444

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

NextPrevious

1 2 3 4 5 6 7 8 9 10


  

Author search:
You can use AND or OR (case sensitive), but not mixed.
Example: (author1 AND author2 AND authorN) or (author1 OR author2 OR authorN).

Search on publication title:

DOI:

Keyword:

Newer than (year included):

Older than (year included):