Llus Blancafort
Llus Blancafort
Institute of Computational Chemistry and Department of Chemistry, University of Girona (UdG)
Email verificata su udg.edu - Home page
TitoloCitata daAnno
Ultrafast decay of electronically excited singlet cytosine via a π, π* to no, π* state switch
N Ismail, L Blancafort, M Olivucci, B Kohler, MA Robb
Journal of the American Chemical Society 124 (24), 6818-6819, 2002
3012002
Quantum Mechanical Studies on the Photophysics and the Photochemistry of Nucleic Acids and Nucleobases
R Improta, F Santoro, L Blancafort
Chemical reviews 116 (6), 3540-3593, 2016
1902016
Triplet-state formation along the ultrafast decay of excited singlet cytosine
M Merchn, L Serrano-Andrs, MA Robb, L Blancafort
Journal of the American Chemical Society 127 (6), 1820-1825, 2005
1712005
Excited-state potential energy surface for the photophysics of adenine
L Blancafort
Journal of the American Chemical Society 128 (1), 210-219, 2006
1662006
Key role of a threefold state crossing in the ultrafast decay of electronically excited cytosine
L Blancafort, MA Robb
The Journal of Physical Chemistry A 108 (47), 10609-10614, 2004
1252004
Theoretical study of benzotriazole UV photostability: Ultrafast deactivation through coupled proton and electron transfer triggered by a charge-transfer state
MJ Paterson, MA Robb, L Blancafort, AD DeBellis
Journal of the American Chemical Society 126 (9), 2912-2922, 2004
1132004
Mechanism of an exceptional class of photostabilizers: a seam of conical intersection parallel to excited state intramolecular proton transfer (ESIPT) in o-hydroxyphenyl-(1, 3…
MJ Paterson, MA Robb, L Blancafort, AD DeBellis
The Journal of Physical Chemistry A 109 (33), 7527-7537, 2005
1082005
Singlet excited-state dynamics of 5-fluorocytosine and cytosine: An experimental and computational study
L Blancafort, B Cohen, PM Hare, B Kohler, MA Robb
The Journal of Physical Chemistry A 109 (20), 4431-4436, 2005
1082005
CASSCF/CAS-PT2 study of hole transfer in stacked DNA nucleobases
L Blancafort, AA Voityuk
The Journal of Physical Chemistry A 110 (20), 6426-6432, 2006
932006
New algorithms for optimizing and linking conical intersection points
F Sicilia, L Blancafort, MJ Bearpark, MA Robb
Journal of Chemical Theory and Computation 4 (2), 257-266, 2008
912008
Modeling thymine photodimerizations in DNA: mechanism and correlation diagrams
L Blancafort, A Migani
Journal of the American Chemical Society 129 (47), 14540-14541, 2007
912007
Photophysics of the π, π* and n, π* States of Thymine: MS-CASPT2 Minimum-Energy Paths and CASSCF on-the-Fly Dynamics
D Asturiol, B Lasorne, MA Robb, L Blancafort
The Journal of Physical Chemistry A 113 (38), 10211-10218, 2009
802009
Energetics of Cytosine Singlet Excited‐State Decay Paths—A Difficult Case for CASSCF and CASPT2†
L Blancafort
Photochemistry and photobiology 83 (3), 603-610, 2007
782007
Exploring the sloped-to-peaked S2/S1 seam of intersection of thymine with electronic structure and direct quantum dynamics calculations
D Asturiol, B Lasorne, GA Worth, MA Robb, L Blancafort
Physical Chemistry Chemical Physics 12 (19), 4949-4958, 2010
732010
Quadratic description of conical intersections: Characterization of critical points on the extended seam
F Sicilia, L Blancafort, MJ Bearpark, MA Robb
The Journal of Physical Chemistry A 111 (11), 2182-2192, 2007
722007
Conical intersections: A perspective on the computation of spectroscopic Jahn–Teller parameters and the degenerate ‘intersection space’
MJ Paterson, MJ Bearpark, MA Robb, L Blancafort, GA Worth
Physical Chemistry Chemical Physics 7 (10), 2100-2115, 2005
702005
Potential Energy Surface Crossings and the Mechanistic Spectrum for Intramolecular Electron Transfer in Organic Radical Cations
L Blancafort, F Jolibois, M Olivucci, MA Robb
Journal of the American Chemical Society 123 (4), 722-732, 2001
672001
An Extended Conical Intersection Seam Associated with a Manifold of Decay Paths: Excited-State Intramolecular Proton Transfer in O-Hydroxybenzaldehyde
A Migani, L Blancafort, MA Robb, AD DeBellis
Journal of the American Chemical Society 130 (22), 6932-6933, 2008
642008
The curvature of the conical intersection seam: An approximate second-order analysis
MJ Paterson, MJ Bearpark, MA Robb, L Blancafort
The Journal of chemical physics 121, 11562, 2004
602004
An analytical second-order description of the S0/S1 intersection seam: fulvene revisited
F Sicilia, MJ Bearpark, L Blancafort, MA Robb
Theoretical Chemistry Accounts 118 (1), 241-251, 2007
572007
Il sistema al momento non pu eseguire l'operazione. Riprova pi tardi.
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