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 | 399 | 2016 |
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 | 341 | 2002 |
Triplet-state formation along the ultrafast decay of excited singlet cytosine M Merchán, L Serrano-Andrés, MA Robb, L Blancafort Journal of the American Chemical Society 127 (6), 1820-1825, 2005 | 198 | 2005 |
Excited-state potential energy surface for the photophysics of adenine L Blancafort Journal of the American Chemical Society 128 (1), 210-219, 2006 | 182 | 2006 |
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 | 150 | 2004 |
A conical intersection model to explain aggregation induced emission in diphenyl dibenzofulvene Q Li, L Blancafort Chemical Communications 49 (53), 5966-5968, 2013 | 147 | 2013 |
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 | 140 | 2004 |
Restricted access to a conical intersection to explain aggregation induced emission in dimethyl tetraphenylsilole XL Peng, S Ruiz-Barragan, ZS Li, QS Li, L Blancafort Journal of Materials Chemistry C 4 (14), 2802-2810, 2016 | 137 | 2016 |
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 | 131 | 2005 |
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 | 125 | 2005 |
Exploring Potential Energy Surfaces for Aggregation‐Induced Emission—From Solution to Crystal R Crespo‐Otero, Q Li, L Blancafort Chemistry–An Asian Journal 14 (6), 700-714, 2019 | 122 | 2019 |
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 | 107 | 2008 |
Modeling thymine photodimerizations in DNA: mechanism and correlation diagrams L Blancafort, A Migani Journal of the American Chemical Society 129 (47), 14540-14541, 2007 | 104 | 2007 |
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 | 104 | 2006 |
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 | 92 | 2005 |
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 | 91 | 2010 |
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 | 91 | 2009 |
Ultrafast above-threshold dynamics of the radical anion of a prototypical quinone electron-acceptor DA Horke, Q Li, L Blancafort, JRR Verlet Nature chemistry 5 (8), 711-717, 2013 | 89 | 2013 |
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 | 89 | 2007 |
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 | 84 | 2007 |