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Results: 80

Fabrizio Sicilia, Michael J. Bearpark, Lluís Blancafort, Michael A. Robb
An analytical second-order description of the S 0 /S 1 intersection seam: fulvene revisited
Theor Chem Account, 2007, 118, 241-251
DOI: 10.1007/s00214-007-0320-8

Lluís Blancafort
Excited-State Potential Energy Surface for the Photophysics of Adenine
J. Am. Chem. Soc., 2006, 128, 210-219
DOI: 10.1021/ja054998f

Lluís Blancafort, Miquel Solà
Pseudo-JahnTeller Effect as the Origin of the Exalted Frequency of the b
J. Phys. Chem. A, 2006, 110, 11219-11222
DOI: 10.1021/jp064885y

Lluís Blancafort, Alexander A. Voityuk
CASSCF/CAS-PT2 Study of Hole Transfer in Stacked DNA Nucleobases
J. Phys. Chem. A, 2006, 110, 6426-6432
DOI: 10.1021/jp061184s

Michael J. Bearpark, Lluís Blancafort, Martin J. Paterson
Mapping the intersection space of the ground and first excited states of fulvene
Molecular Physics, 2006, 104, 1033-1038
DOI: 10.1080/00268970500418265

Lluís Blancafort, Michael J. Bearpark, Michael A. Robb
Ring puckering of cyclooctatetraene and cyclohexane is induced by pseudo-JahnTeller coupling
Molecular Physics, 2006, 104, 2007-2010
DOI: 10.1080/00268970600665427

M Noguera, L Blancafort, M Sodupe, J Bertran
Canonical Watson–Crick base pair interactions in π → π* type triplet states
Molecular Physics, 2006, 104, 925-931
DOI: 10.1080/00268970500418349
Keywords: Computational chemistry, Excited states, Photochemistry, Reaction mechanisms, Spectroscopy

Manuela Merchán, Luis Serrano-Andrés, Michael A. Robb, Lluís Blancafort
Triplet-State Formation along the Ultrafast Decay of Excited Singlet Cytosine
J. Am. Chem. Soc., 2005, 127, 1820-1825
DOI: 10.1021/ja044371h

Lluís Blancafort, Patricia Hunt, Michael A. Robb
Intramolecular Electron Transfer in Bis(methylene) Adamantyl Radical Cation: A Case Study of Diabatic Trapping
J. Am. Chem. Soc., 2005, 127, 3391-3399
DOI: 10.1021/ja043879h

Lluís Blancafort, Boiko Cohen, Patrick M. Hare, Bern Kohler, Michael A. Robb
Singlet Excited-State Dynamics of 5-Fluorocytosine and Cytosine: An Experimental and Computational Study
J. Phys. Chem. A, 2005, 109, 4431-4436
DOI: 10.1021/jp045614v

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