Ashworth, E. K.; Kao, M.-H.; Anstöter, C. S.; Riesco-Llach, G.; Blancafort, L.; Solntsev, K. M.; Meech, S. R.; Verlet, J. R. R.; Bull, J. N. "Alkylated green fluorescent protein chromophores: dynamics in the gas phase and in aqueous solution." Journal of Chemical Physics 25 (2023): 23626-. Wang, X.; Kinziabulatova, L.; Bortoli, M.; Manickoth, A.; Barilla, M.; Huang, H.; Blancafort, L.; Kohler, B.; Lumb, J.-P. "Indole-5,6-quinones display hallmark properties of eumelanin." Nature Chemistry 15 (2023): 787-. Bosch, D.; Wang, J.; Blancafort, L. "Fingerprint-based deep neural networks can model thermodynamic and optical properties of eumelanin DHI dimers." Chemical Science 13 (2022): 8942-8946. Blancafort, L. "Switching between emission and photochemistry in an aggregation-induced emitter with extended conjugation." Aggregate 3 (2022): e238-. Liu, J.; Zhang, H.; Hu, L.; Wang, J.; Lam, J. W. Y.; Blancafort, L.; Tang, B. Z. "Through-Space Interaction of Tetraphenylethylene: What, Where, and How." Journal of the American Chemical Society 144 (2022): 7901-. Coughlan, N. J. A.; Stockett, M. H.; Kjaer, C.; Ashworth, E. K.; Bulman Page, P. C.; Meech, S. R.; Brøndsted Nielsen, S.; Blancafort, L.; Hopkins, W. S.; Bull, J. N. "Action spectroscopy of the isolated red Kaede fluorescent protein chromophore." Journal of Chemical Physics 155 (2021): 124304-. Wang, J.; Blancafort, L. "Stability and optical absorption of a comprehensive virtual library of minimal eumelanin oligomer models." Angewandte Chemie International Edition 2021 (2021): 18800-18809. Giuliani, G.; Meroll, A.; Paolino, M.; Reale, A.; Saletti, M.; Blancafort, L.; Cappelli, A.; Benfenati, F.; Cesca, F. "Stability studies of new caged bis-deoxy-coelenterazine derivatives and their potential use as cellular pH probes." Photochemistry and Photobiology 97 (2021): 343-352. Djordjevic, I.; Wicaksono, G.; Solic, I.; Singh, J.; Kaku, T.S.; Lim, S.; Ang, E.W.J. Blancafort, L.; Steele, T.J.W. "Rapid activation of diazirine biomaterials with the blue light photocatalyst." ACS Applied Materials and Interfaces 13 (2021): 36839-36848. Djordjevic, I.; Pokholenko, O.; Shah, A. H.; Wicaksono, G.; Blancafort, L.; Hanna, J. V.; Page, S. J.; Nanda, H. S.; Ong, C. B.; Chung, S. R.; Chin, A. Y. H.; McGrouther, D.; Choudhury, M. M.; Li, F.; Teo, J. S.; Lee, L. S.; "CaproGlu: Multifunctional tissue adhesive platform." Biomaterials 260 (2020): -. Trachsel, M. A.; Blaser, S.; Lobsiger, S.; Siffert, L.; Frey, H.-M.; Blancafort, L.; Leutwyler, S. "Locating Cytosine Conical Intersections by Laser Experiments and Ab Initio Calculations." Journal of Physical Chemistry Letters 11 (2020): 3203-3210. Lamas, I.; Montero, R.; Martínez-Martínez, V.; Longarte, A.; Blancafort, L. "An np* gated decay mediates excited-state lifetimes of isolated azaindoles." Physical Chemistry Chemical Physics 22 (2020): 18639-18645. Viglianti, L.; Xie, N.; Sung, H.H.Y.; Voityuk, A.A.; Leung, N.C.L.; Tu, Y.; Baldoli, C.; Williams, I.D.; Kwok, R.T.K.; Lam, J.W.Y.; Licandro, E.; Blancafort, L.; Tang, B.Z. "Unusual Through-Space Interactions between Oxygen Atoms that Mediate Inverse Morphochromism of an AIE Luminogen." Angewandte Chemie International Edition 59 (2020): 8552-8559. Grieco, C.; Hanes, A. T..; Blancafort, L.; Kohler, B. "Effects of Intra- and Intermolecular Hydrogen Bonding on O-H Bond Photodissociation Pathways of a Catechol Derivative." Journal of Physical Chemistry A 123 (2019): 5356-5366. Jaume Garcia-Amorós, Benjamin Maerz, Marta Reig, A Cuadrado, Lluís Blancafort, Elena Samoylova, Dolores Velasco "Picosecond switchable azo dyes." Chemistry-A European Journal 25 (2019): 7726-7732. Crespo-Otero, R.; Li, Q. S.; Blancafort, L. "Exploring Potential Energy Surfaces for Aggregation-Induced Emission-From Solution to Crystal." Chemistry: An Asian Journal 14 (2019): 700-714. Grieco, C.; Kohl, F. R.; Zhang, Y. Y.; Natarajan, S.; Blancafort, L.; Kohler, B. "Intermolecular Hydrogen Bonding Modulates O-H Photodissociation in Molecular Aggregates of a Catechol Derivative." Photochemistry and Photobiology 95 (2019): 163-175. Jacquemin, D.; Blancafort, L.; Rhee, Y.M. "Computational Photochemistry." Chemphotochem 3 (2019): 664-665. Ding, W.-L.; Peng, X.-L.; Cui, G.-L.; Li, Z.-S.; Blancafort, L.; Li, Q.-S. "Potential-Energy Surface and Dynamics Simulation of THBDBA: An Annulated Tetraphenylethene Derivative Combining Aggregation-Induced Emission and Switch Behavior." Chemphotochem 3 (2019): 814-824. Albero, J.; Vidal, A.; Migani, A.; Concepción, P.; Blancafort, L.; García, H. "Phosphorus-doped graphene as a metal-free material for thermochemical water reforming at unusually mild conditions." Acs Sustainable Chemistry & Engineering 7 (2019): 838-846. Cédric Colomban; Carles Fuertes-Espinosa; Sébastien Goeb; Marc Sallé; Miquel Costas; Lluis Blancafort; Xavi Ribas "Self-assembled Cofacial Zinc Porphyrin Supramolecular Nanocapsules as tuneable 1O2 Photosensitizers." Chemistry-A European Journal 24 (2018): 4371-4381. Conyard, J.; Heisler, I.A.; Chan, Y.H.; Page, P.C.B.; Meech, S.R.; Blancafort, L. "A new twist in the photophysics of the GFP chromophore: a volume-conserving molecular torsion couple." Chemical Science 9 (2018): 1803-1812. Peng, X.L.; Migani, A.; Li, Q.; Li, Z.; Blancafort, L. "Theoretical study of non-Hammett vs. Hammett behaviour in the thermolysis and photolysis of arylchlorodiazirines." Physical Chemistry Chemical Physics 20 (2018): 1181-1188. Blancafort, L.; Voityuk, A. A. "Thermally induced hopping model for long-range triplet excitation energy transfer in DNA." Physical Chemistry Chemical Physics 20 (2018): 4997-5000. Blancafort, L.; Voityuk, A. A. "Direct estimation of the transfer integral for photoinduced electron transfer from TD-DFT calculations." Physical Chemistry Chemical Physics 19 (2017): 31007-31010. Migani, A.; Blancafort, L. "What Controls Photocatalytic Water Oxidation on Rutile TiO2(110) under Ultra-High-Vacuum Conditions?." Journal of the American Chemical Society 139 (2017): 11845-11856. Trachsel, M.A.; Lobsiger, S.; Schar, T.; Blancafort, L.; Leutwyler, S. "Planarizing cytosine: The S-1 state structure, vibrations, and nonradiative dynamics of jet-cooled 5,6-trimethylenecytosine." Journal of Chemical Physics 146 (2017): 244308-. Tay, J.; Parkes, M. A.; Addison, K.; Chan, Y. H.; Zhang, L. J.; Hailes, H. C.; Page, P. C. B.; Meech, S. R.; Blancafort, L.; Fielding, H. H. "The Effect of Conjugation. on the Competition between Internal Conversion and Electron Detachment: A Comparison between Green Fluorescent and Red Kaede Protein Chromophores." Journal of Physical Chemistry Letters 8 (2017): 765-771. Migani, A.; Blancafort, L. "Excitonic Interfacial Proton-Coupled Electron Transfer Mechanism in the Photocatalytic Oxidation of Methanol to Formaldehyde on TiO2(110)." Journal of the American Chemical Society 138 (2016): 16165-16173. Li, H.; Migani, A.; Blancafort, L.; Li, Q.; Li, Z. "Early events in the photochemistry of 5-diazo Meldrum's acid: formation of a product manifold in C-N bound and predissociated intersection seam regions." Physical Chemistry Chemical Physics 18 (2016): 30785-30793. Trachsel, M.A.; Wiedmer, T.; Blaser, S.; Frey, H.-M.; Li, Q.; Ruiz-Barragan, S.; Blancafort, L.; Leutwyler, S. "The excited-state structure, vibrations, lifetimes, and nonradiative dynamics of jet-cooled 1-methylcytosine." Journal of Chemical Physics 145 (2016): 134307-. Gil-Sepulcre, M.; Axelson, J. C.; Aguiló, J.; Solà-Hernàndez, L.; Francàs, L.; Poater, A.; Blancafort, L.; Benet-Buchholz, J.; Guirado, G.; Escriche, L.; Llobet, A.; Bofill, R.; Sala, X. "Synthesis and Isomeric Analysis of Ru(II) Complexes Bearing Pentadentate Scaffolds." Inorganic Chemistry 55 (2016): 11216-11229. Li, Q.; Giussani, A.; Segarra-Martí, J.; Nenov, A.; Rivalta, I.; Voityuk, A. A.; Mukamel, S.; Roca-Sanjuán, D.; Garavelli, M.; Blancafort, L. "Multiple Decay Mechanisms and 2D-UV Spectroscopic Fingerprints of Singlet Excited Solvated Adenine-Uracil Monophosphate." Chemistry-A European Journal 22 (2016): 7497-7507. Improta, R.; Santoro, F.; Blancafort, L. "Quantum Mechanical Studies on the Photophysics and the Photochemistry of Nucleic Acids and Nucleobases." Chemical Reviews 116 (2016): 3540-3593. Peng, X.-L.; Ruiz-Barragan, S.; Li, Z.-S.; Li, Q.-S.; Blancafort, L. "Restricted access to a conical intersection to explain aggregation induced emission in dimethyltetraphenylsilole." Journal of materials chemistry. C 4 (2016): 2802-2810. Blancafort, L.; Ovejas, V.; Montero, R.; Fernández-Fernández, M.; Longarte, A. "Triplet Mediated C-N Dissociation versus Internal Conversion in Electronically Excited N-Methylpyrrole." Journal of Physical Chemistry Letters 7 (2016): 1231-1237. Peccati, F.; Hernando, J.; Blancafort, L.; Solans-Monfort, X.; Sodupe, M. "Disaggregation-induced fluorescence enhancement of NIAD-4 for the optical imaging of amyloid-beta fibrils." Physical Chemistry Chemical Physics 17 (2015): 19718-19725. Li, Q.; Mennucci, B.; Robb, M. A.; Blancafort, L.; Curutchet, C. "Polarizable QM/MM Multiconfiguration Self-Consistent Field Approach with State-Specific Corrections: Environment Effects on Cytosine Absorption Spectrum." Journal of Chemical Theory and Computation 11 (2015): 1674-1682. Ruiz-Barragan, S.; Morokuma, K.; Blancafort, L. "Conical Intersection Optimization Using Composed Steps Inside the ONIOM(QM:MM) Scheme: CASSCF:UFF Implementation with Microiterations." Journal of Chemical Theory and Computation 11 (2015): 1585-1594. Blancafort, L. "Photochemistry and photophysics at extended seams of conical intersection." ChemPhysChem 15 (2014): 3166-3181. Jenkins, S.; Blancafort, L.; Kirk, S. R.; Bearpark, M. J. "The response of the electronic structure to electronic excitation and double bond torsion in fulvene: a combined QTAIM, stress tensor and MO perspective." Physical Chemistry Chemical Physics 16 (2014): 7115-7126. Blancafort, L.; Voityuk, A. A. "Exciton delocalization, charge transfer, and electronic coupling for singlet excitation energy transfer between stacked nucleobases in DNA: An MS-CASPT2 study." Journal of Chemical Physics 140 (2014): 095102-. Butchosa, C.; Simon, S.; Blancafort, L.; Voityuk, A. A. "On the performance of the Kohn-Sham orbital approach in the calculation of electron transfer parameters. The three state model." Physical Chemistry Chemical Physics 16 (2014): 17154-17162. Ruiz-Barragan, S.; Blancafort, L. "Photophysics of fulvene under the non-resonant Stark effect. Shaping the conical intersection seam." Faraday Discussions 163 (2013): 497-512. Horke, D. A.; Li, Q.; Blancafort, L.; Verlet, J. R. R. "Ultrafast above-threshold dynamics of the radical anion of a prototypical quinone electron-acceptor." Nature Chemistry 5 (2013): 711-717. Li, Q.; Blancafort, L. "A conical intersection model to explain aggregation induced emission in diphenyl dibenzofulvene." Chemical Communications 49 (2013): 5966-5968. Ruiz-Barragan, S.; Robb, M. A.; Blancafort, L. "Conical intersection optimization based on a double Newton-Raphson algorithm using composed steps." Journal of Chemical Theory and Computation 9 (2013): 1433-1442. Li, Q.; Blancafort, L. "Photochemistry and photophysics of the amino and imino tautomers of 1-methylcytosine: tautomerisation as a side product of the radiation less decay." Photochemical & Photobiological Sciences 12 (2013): 1401-1408. Li, Q.; Migani, A.; Blancafort, L. "Irreversible phototautomerization of o-phthalaldehyde through electronic relocation." Physical Chemistry Chemical Physics 14 (2012): 6561-6568. Butchosa, C.; Simon, S.; Blancafort, L.; Voityuk, A. A. "MS-CASPT2 study of hole transfer in guanine-indole complexes using the generalized Mulliken-Hush method: Effective two-state treatment." Journal of Physical Chemistry B 116 (2012): 7815-7820. Blancafort, L.; Robb, M. A. "A Valence bond description of the prefulvene extended conical intersection seam of benzene." Journal of Chemical Theory and Computation 8 (2012): 4922-4930. Li, Q.; Migani, A.; Blancafort, L. "Wave packet dynamics at an extended seam of conical intersection: Mechanism of the light-induced Wolff rearrangement." Journal of Physical Chemistry Letters 3 (2012): 1056-1061. Blancafort, L.; Williams, F. "Role of Hyperconjugation in the 1,2-Shift Reactivity of Bicyclo[2.1.0]pentane and cyclopropane Radical Cations: A Computational Study." Journal of Physical Chemistry A 116 (2012): 10607-10614. Migani, A.; Leyva, V.; Feixas, F.; Schmierer, T.; Gilch, P.; Corral, I.; González, L.; Blancafort, L. "Ultrafast Irreversible Phototautomerization of ortho-Nitrobenzaldehyde." Chemical Communications 47 (2011): 6383-6385. Blancafort, L.; Gatti, F.; Meyer, H.-D. "Quantum dynamics study of fulvene double bond photoisomerization: the role of intramolecular vibrational energy redistribution and excitation energy." Journal of Chemical Physics 135 (2011): 134303-. Storoniak, P.; Rak, J.; Polska, K.; Blancafort, L. "Local Excitation of the 5-Bromouracil Chromophore in DNA. Computational and UV Spectroscopic Studies." Journal of Physical Chemistry B 115 (2011): 4532-4537. Leyva, V.; Corral, I.; Feixas, F.; Migani, A.; Blancafort, L.; González-Vázquez, J.; González, L. "A non-adiabatic quantum-classical dynamics study of the intramolecular excited state hydrogen transfer in ortho-Nitrobenzaldehyde." Physical Chemistry Chemical Physics 13 (2011): 14685-14694. Li, Q.; Mendive-Tapia, D.; Paterson, M. J.; Migani, A.; Bearpark, M. J.; Robb, M. A.; Blancafort, L. "A global picture of the S1/S0 conical intersection seam of benzene." Chemical Physics 377 (2010): 60-65. Asturiol, D.; Lasorne, B.; Worth, G. A.; Robb, M. A.; Blancafort, L. "Exploring the sloped-to-peaked S2/S1 seam of intersection of thymine with electronic structure and direct quantum dynamics calculations." Physical Chemistry Chemical Physics 12 (2010): 4949-4958. Blancafort, L.; Duran, M.; Poater, J.; Salvador, S.; Simon, S.; Solà, M.; Voityuk, Alexnder.A. "Excess charge delocalization in organic and biological molecules. Some theoretical notions." Theoretical Chemistry Accounts: Theory, Computation, and Modeling 123 (2009): 29-40. Kobylecka, M.; Migani, A.; Asturiol, D.; Rak, J.; Blancafort, L. "Benign decay vs. photolysis in the photophysics and photochemistry of 5-bromouracil. A computational study." Journal of Physical Chemistry A 113 (2009): 5489-5495. Jimenez Halla, J.O.C.; Matito, E.; Blancafort, L.; Robles, J.; Solà, M. "Tuning Aromaticity in Trigonal Alkaline Earth Metal Clusters and Their Alkali Metal Salts." Journal of Computational Chemistry 30 (2009): 2764-2776. Asturiol, D.; Lasorne, B.; Robb, M.A.; Blancafort, L. "Photophysics of the pi,pi* and n,p* states of thymine: MS-CASPT2 minimum-energy paths and CASSCF on-the-fly dynamics." Journal of Physical Chemistry A 113 (2009): 10211-10218. Li, Q.; Migani, A.; Blancafort, L. "MS-CASPT2 assignment of the UV/vis absorption spectrum of diazoquinones undergoing the photoinduced Wolff rearrangement." Journal of Physical Chemistry A 113 (2009): 9413-9417. Sicilia, F.; Blancafort, L.; Bearpark, M. J.; Robb, M. A. "New algorithms for optimizing and linking conical intersection points." Journal of Chemical Theory and Computation 4 (2008): 257-266. Lasorne, B.; Sicilia, F.; Bearpark, M. J.; Robb, M. A.; Worth, G. A.; Blancafort, L. "Automatic generation of active coordiantes for quantum ynamicscalculations: Application to the dynamics of benzene photochemistry." Journal of Chemical Physics 128 (2008): 124307-. Migani, A.; Blancafort, L.; DeBellis, A. D.; Robb, M. A. "An extended conical intersection seam associated with a manifold of decay paths: excited state intramolecular proton transfer in o-hydroxybenzaldehyde." Journal of the American Chemical Society 130 (2008): 6932-6933. Leyva, V.; Corral, I.; Schmierer, T.; Heinz, B.; Feixas, F.; Migani, A.; Blancafort, L.; Gilch, P.; González, L. "Electronic states of o-nitrobenzaldehyde: a combined experimental and theoretical study." Journal of Physical Chemistry A 112 (2008): 5046-5053. Blancafort, L.; Voityuk, A. "MS-CASPT2 Calculation of excess electron transfer in stacked DNA nucleobases." Journal of Physical Chemistry A 111 (2007): 4714-4719. Sicilia, F.; Blancafort, L.; Bearpark, M. J.; Robb, M. A. "Quadratic description of conical intersections: characterization of critical points on the extended seam." Journal of Physical Chemistry A 111 (2007): 2182-2192. Sicilia, F.; Bearpark, M. J.; Blancafort, L.; Robb, M. A. "An analytical second-order description of the S0/S1 intersection seam: fulvene revisited." Theoretical Chemistry Accounts: Theory, Computation, and Modeling 118 (2007): 241-251. Blancafort, L.; Migani, A. "Water effect on the excited-state decay paths of singlet excited cytosine." Journal of Photochemistry and Photobiology. A, Chemistry 190 (2007): 283-290. Blancafort, L. "Energetics of cytosine singlet excited-state decay paths. A difficult case for CASSCF and CASPT2." Photochemistry and Photobiology 83 (2007): 603-610. Blancafort, L.; Migani, A. "Modeling thymine photodimerizations in DNA: mechanism and correlation diagrams." Journal of the American Chemical Society 129 (2007): 14540-14541. Blancafort, L.; Bearpark, M.J.; Robb, M.A. "Ring puckering of cyclooctatetraene and cyclohexane is induced by pseudo-Jahn-Teller coupling." Molecular Physics 104 (2006): 2007-2010. Bearpark, M.J.; Blancafort, L.; Paterson, M.J. "Mapping the intersection space of the ground and first excited states of fulvene." Molecular Physics 104 (2006): 1033-1038. Blancafort, L. ; Voityuk, A. A. "CASSCF/CAS-PT2 Study of Hole transfer in Stacked DNA nucleobases." Journal of Physical Chemistry A 110 (2006): 6426-6432. Blancafort, L. "Excited-state potential energy surface for the photophysics of adenine." Journal of the American Chemical Society 128 (2006): 210-219. Noguera, M.; Blancafort, L.; Sodupe, M.; Bertran, J. "Canonical Watson-Crick base pair interactions in &p.,&p.* type triplet states." Molecular Physics 104 (2006): 925-931. Blancafort, L.; Solà, M. "Pseudo-Jahn-Teller Effect as the Origin of the Exalted Frequency of the b2u Kekulé Mode in the 11B2u Excited State of Benzene." Journal of Physical Chemistry A 110 (2006): 11219-11222. Blancafort, L.; Hunt, P.; Robb, M.A. "Intramolecular Electron Transfer in Bis(methylene) Adamantyl Radical Cation: a case Study of Diabatic Trapping." Journal of the American Chemical Society 127 (2005): 3391-3399. Blancafort, L.; Cohem, B.; Hare, P.M.; Kohler, B.; Robb, M.A. "Singlet excited-state dynamics of 5-fluorocytosine and cytosine: an experimental and theoretical study." Journal of Physical Chemistry A 109 (2005): 4431-4436. Paterson, M.J.; Robb, M.A.; Blancafort, L.; Debellis, A.D. "Mechanism of an exceptional class of photostabilizers: A seam of conical intersection parallel to excited state intramolecular proton transfer (ESIPT) in o-hydroxyphenyl-(1,3,5)-triazine." Journal of Physical Chemistry A 109 (2005): 7527-7537. Paterson, M.J.; Bearpark, M.J.; Robb, M.A.; Blancafort, L.; Worth, G.A. "Conical intersections: A perspective on the computation of spectroscopic Jahn-Teller parameters and the degenerate 'intersection space'." Physical Chemistry Chemical Physics 7 (2005): 2100-2115. Merchán, M.; Serrano-Andrés, L.; Robb, M.A.; Blancafort, L. "Triplet-State Formation along the Ultrafast Decay of Excited Singlet Cytosine." Journal of the American Chemical Society 127 (2005): 1820-1825. Paterson, M.J.; Bearpark, M.J.; Robb, M.A.; Blancafort, L. "The curvature of the conical intersection seam: an approximate second-order analysis." Journal of Chemical Physics 121 (2004): 11562-11571. Blancafort, L.; Bertran, J.; Sodupe, M. "Triplet (&p.*,&p.*) reactivity of the guanine-cytosine DNA base pair: benign deactivation versus double tautomerization via intermolecular hydrogen transfer." Journal of the American Chemical Society 126 (2004): 12770-12771. Blancafort, L.; Robb, M.A. "Key role of a threefold state crossing in the ultrafast decay of electronically exited cytosine." Journal of Physical Chemistry A 108 (2004): 10609-10614. Paterson, M.J.; Robb, M.A.; Blancafort, L.; DeBellis, A.D. "Theoretical study of benzotriazole UV photostability: ultrafast deactivation through coupled proton and electron transfer triggered by a charge-transfer state." Journal of the American Chemical Society 126 (2004): 2912-2922. Blancafort, L.; Torrent-Sucarrat, M.; Luis, J. M.; Duran, M.; Solà, M. "Evaluation of the Analogy between Exceptions to the Generalized Maximum Hardness Principle for Non-Totally Symmetric Vibrations and the Pseudo Jahn-Teller Effect." Journal of Physical Chemistry A 107 (2003): 7337-7339. Blancafort, L.; Celani, P.; Bearpark, M.J.; Robb, M.A. "A valence-bond-based complete-active-space self-consistent-field method for the evaluation of bonding in organic molecules." Theoretical Chemistry Accounts: Theory, Computation, and Modeling 110 (2003): 92-99. Klene, M.; Robb, M.A.; Blancafort, L.; Frisch, M.J. "A new efficient approach to the direct restricted active space self-consistent field method." Journal of Chemical Physics 119 (2003): 713-728. Ismail, N.; Blancafort, L.; Olivucci, M.; Kohler, B.; Robb, M.A. "Ultrafast decay of electronically excited singlet cytosine via a &p.,&p.* to n(o),p* state switch." Journal of the American Chemical Society 124 (2002): 6818-6819. Paterson, M. J.; Blancafort, L.; Wilsey, S.; Robb, M.A. "Photoinduced electron transfer in squaraine dyes: Sensitization of large band gap semiconductors." Journal of Physical Chemistry A 106 (2002): 11431-11439. Bearpark, M.J.; Blancafort, L.; Robb, M.A. "The pseudo-Jahn-Teller effect: a CASSCF diagnostic." Molecular Physics 100 (2002): 1735-1739. Blancafort, L.; González, D.; Olivucci, M.; Robb, M.A. "Quenching of tryptophan 1(&p.,&p.*) fluorescence induced by intramolecular hydrogen abstraction via an aborted decarboxylation mechanism." Journal of the American Chemical Society 124 (2002): 6398-6406. Blancafort, L.; Jolibois, F.; Olivucci, M.; Robb, M.A. "Potential energy surface crossings and the mechanistic spectrum for intramolecular electron transfer in organic radical cations." Journal of the American Chemical Society 123 (2001): 722-732. Castaño, O.; Frutos, L.M.; Palmeiro, R.; Notario, R.; Andrés, J.L.; Gomperts, R.; Blancafort, L.; Robb, M.A. "The valence isomerization of cyclooctatetraene to semibullvalene." Angewandte Chemie International Edition 39 (2000): 2095-2097. Fernández, E.; Blancafort, L.; Olivucci, M.; Robb, M.A. "Intramolecular Electron Transfer: Independent (Ground State) Adiabatic (Chemical) and Nonadiabatic Reaction Pathways in Bis(hydrazine) Radical Cations." Journal of the American Chemical Society 122 (2000): 7528-7533. Blancafort, L.; Adam, W.; González, D.; Olivucci, M.; Vreven, T.; Robb, M.A. "Theoretical study of the 1,2 rearrangement of housane radical cations: key role of a transient cyclopentane-1,3-diyl intermediate." Journal of the American Chemical Society 121 (1999): 10583-10590. Adam, W.; Blancafort, L. "Reaction of alha-peroxy lactones with C, N, P and S nucleophiles: adduct formation and nucleophile oxidation by nucleophilic attack at and biphilic insertion into the peroxide bond." Journal of Organic Chemistry 62 (1997): 1623-1629. Adam, W.; Blancafort, L.; Saha-Möller, C.R. "Kinetic resolution of racemic halohydrins, precursors of optically active di- adn trialkyl-substituted epoxides, with lipase from Pseudomonas sp." Tetrahedron-Asymmetry 8 (1997): 3189-3192. Adam, W.; Blancafort, L. "Steric and Stereoelectronic Control of the Mode Selectivity as a function of alkene structure in the reaction with dimethyl a-peroxy lactone: cycloadducts and ene products versus epoxides." Journal of the American Chemical Society 118 (1996): 4778-4787. Adam, W.; Blancafort, L. "Stereoselective cycloaddition and epoxidation of enol ethers by alpha-peroxy lactone as a function of steric and stereoelectronic effects." Journal of Organic Chemistry 61 (1996): 8432-8438.