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Results: 88

Lluís Blancafort, Joan Bertran, Mariona Sodupe
Triplet (π,π*) Reactivity of the GuanineCytosine DNA Base Pair: Benign Deactivation versus Double Tautomerization via Intermolecular Hydrogen Transfer
J. Am. Chem. Soc., 2004, 126, 12770-12771
DOI: 10.1021/ja048230r

Martin J. Paterson, Michael A. Robb, Lluís Blancafort, Anthony D. DeBellis
Theoretical Study of Benzotriazole UV Photostability: Ultrafast Deactivation through Coupled Proton and Electron Transfer Triggered by a Charge-Transfer State
J. Am. Chem. Soc., 2004, 126, 2912-2922
DOI: 10.1021/ja0386593

Martin J. Paterson, Michael J. Bearpark, Michael A. Robb, Lluís Blancafort
The curvature of the conical intersection seam: An approximate second-order analysis
J. Chem. Phys., 2004, 121, 11562
DOI: 10.1063/1.1813436

Lluís Blancafort, Michael A. Robb
Key Role of a Threefold State Crossing in the Ultrafast Decay of Electronically Excited Cytosine
J. Phys. Chem. A, 2004, 108, 10609-10614
DOI: 10.1021/jp045985b

Michael Klene, Michael A. Robb, Lluís Blancafort, Michael J. Frisch
A new efficient approach to the direct restricted active space self-consistent field method
J. Chem. Phys., 2003, 119, 713
DOI: 10.1063/1.1578620

Lluís Blancafort, Miquel Torrent-Sucarrat, Josep M. Luis, Miquel Duran, Miquel Solà
Evaluation of the Analogy between Exceptions to the Generalized Maximum Hardness Principle for Non-Totally-Symmetric Vibrations and the Pseudo-JahnTeller Effect
J. Phys. Chem. A, 2003, 107, 7337-7339
DOI: 10.1021/jp034557n

Lluís Blancafort, Paolo Celani, Michael J. Bearpark, Michael A. Robb
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 (Theoretica Chimica Acta), 2003, 110, 92-99
DOI: 10.1007/s00214-003-0459-x

Martin J. Paterson, Lluís Blancafort, Sarah Wilsey, Michael A. Robb
Photoinduced Electron Transfer in Squaraine Dyes:  Sensitization of Large Band Gap Semiconductors
J. Phys. Chem. A, 2002, 106, 11431-11439
DOI: 10.1021/jp026418w

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