Dr.  BLANCAFORT SAN JOSE, LUIS

Plana personal

Categoria:
PROFESSOR AGREGAT
Departament:
QUÍMICA
Àrea de coneixement:
QUÍMICA FÍSICA
Institut:
INSTITUT DE QUÍMICA COMPUTACIONAL I CATÀLISI
Grup de recerca:
Química teòrica i Modelatge i Enginyeria molecular
ORCID PRC:
0000-0002-0003-5540

Conferència invitada

Congrés:
Theoretical Chemistry: Modeling Reactivity from Gas Phase to Biomolecules and Solids. Barcelona (ESP) 2009.
Títol:
Second-order analysis of conical intersections: Applications to photochemistry and photophysics of organic molecules
Autors:
Blancafort, L.; Lasorne, B.; Bearpark, M. J.; Worth, G. A.; Robb, M. A.
Congrés:
2nd Changsha Workshop on Theoretical and Computational Chemistry with Materials. Changsha (CHN) 2013.
Títol:
Photophysics of fulvene derivatives: Aggregation induced emission and optical control
Autors:
L. Blancafort
Congrés:
X Girona Seminar on theoretical and computational chemistry for the modeling of biochemical systems. Girona (ESP) 2012.
Títol:
Photochemistry at seams of intersection: From simulation to control
Autors:
L. Blancafort
Congrés:
Control of Chemical Reactivity: Working Group 3 Meeting of XLIC COST Action CM1204. Birmingham (ENG) 2014.
Títol:
Photophysics of fulvene under the non-resonant Stark effect. Shaping the conical intersection seam
Autors:
L. Blancafort, S. Ruiz-Barragan
Congrés:
Excited States Bridging Scales. Marsella (FRA) 2016.
Títol:
Excited state mechanisms in complex systems: From photophysics in solution to photocatalysis on surfaces
Autors:
L. Blancafort
Congrés:
Chemiexcitation in Human Disease. Cold spring Harbor Laboratory Conference.. Cold Spring Harbor (NY) (USA) 2017.
Títol:
Cyclobutane dimers and energy wormholes
Autors:
L. Blancafort
Congrés:
Ultrafast Science and Technology Spain 2017. Salamanca (ESP) 2017.
Títol:
Computational studies of ultrafast molecular photochemisty and photophysics
Autors:
L. Blancafort

Pòster

Congrés:
6th World Congress of Theoretically Oriented Chemists. Lugano (CHE) 2002.
Títol:
Surface crossings and dynamics in adiabatic and on-adiabatic electron transfer of organic radical cations
Autors:
Blancafort, L.; Robb, M.A.
Congrés:
Multidimensional Quantum Reaction Dynamics 2003. Berlín (DEU) 2003.
Títol:
Surface crossings and dynamics in adiabatic and on-adiabatic Eectron transfer of organic radical cations
Autors:
Blancafort, L.; Robb, M.A.
Congrés:
Faraday Discussion 127: 'Non-Adiabatic Effects in Chemical Dynamics'. Oxford (GBR) 2004.
Títol:
Key role of a triple state crossing in the ultrafast decay of electronically excited cytosine
Autors:
Blancafort, L.; Robb, M. A.
Congrés:
Radiation Damage in Biomolecular Systems (RADAM '06). Groningen (NLD) 2006.
Títol:
Excited states of stacked nucleobase dimers studied with CASSCF and CASPT2
Autors:
Blancafort, L.
Congrés:
XXIII International Conference on Photochemistry (ICP2007). Colonia (DEU) 2007.
Títol:
Thymine photophysics: Structure of the decay path to the ground state
Autors:
Asturiol, D.; Blancafort, L.
Congrés:
Molecular Quantum Mechanics - Analytic Gradients and Beyond. Budapest (HUN) 2007.
Títol:
Analysis of Conical Intersections - Hybrid Optimization Algorithm and Minimum Energy Path in the Intersection Space
Autors:
Blancafort, L.; Sicilia, F.; Bearpark, M. J.; Robb, M. A.
Congrés:
XXIII International Conference on Photochemistry. Colònia (DEU) 2007.
Títol:
Structure of the Intersection Space Associated with the Excited-State Intramolecular Proton Transfer in o-Hydroxybenzaldehyde
Autors:
Migani, A.; Blancafort, L.; Robb, M. A.; DeBellis, A. D.
Congrés:
XXIII International Conference on Photochemistry. Colònia (DEU) 2007.
Títol:
The mechanism of excited-state intramolecular hydrogen transfer in o-nitrobenzaldehyde by ab initio methods
Autors:
Feixas, F.; Migani, A.; Blancafort, L.
Congrés:
13th International Congress of Quantum Chemistry (ICQC). Helsinki (FIN) 2009.
Títol:
Second-order analysis of conical intersections: Applications to photochemistry and photophysics of organic molecules
Autors:
Blancafort, L.; Lasorne, B.; Bearpark, M. J.; Worth, G. A.; Robb, M. A.
Congrés:
Molecular Quantum Mechanics: From Methylene to DNA and Beyond. Berkeley (USA) 2010.
Títol:
Renner-Teller and conical intersection seams in the intersection space of C2H2+
Autors:
Blancafort, L.
Congrés:
XXIII IUPAC Symposium on Photochemistry. Ferrara (ITA) 2010.
Títol:
Insights into the mechanism of the photoinduced Wolff rearrangement of diazonaphthoquinone
Autors:
Li, Q.; Migani, A.; Blancafort, L.
Congrés:
XXIII IUPAC Symposium on Photochemistry. Ferrara (ITA) 2010.
Títol:
Different excited-state hydrogen transfer mechanisms in ortho-nitrobenzaldehyde by ab initio quantum methods
Autors:
Leyva, V.; González, L.; Corral, I.; González, J.; Feixas, F.; Migani, A.; Blancafort, L.
Congrés:
IXth Triennial Congress of the World Association of Theoretical and Computational Chemists (WATOC). Santiago de Compostela (ESP) 2011.
Títol:
Conical intersection optimization with Double Newton-Raphson algorithm
Autors:
S. Ruiz-Barragan, L. Blancafort
Congrés:
IXth Triennial Congress of the World Association of Theoretical and Computational Chemists (WATOC). Santiago de Compostela (ESP) 2011.
Títol:
Fulvene excited state dynamics with MCTDH: double bond isomerization
Autors:
L. Blancafort, F. Gatti, H.-D. Meyer
Congrés:
Femtochemistry 10. Frontiers of ultrafast phenomena in chemistry, physics and biology. Madrid (ESP) 2011.
Títol:
Fulvene excited state dynamics with MCTDH: double bond isomerization
Autors:
L. Blancafort, F. Gatti, H.-D. Meyer
Congrés:
8th Molecular Quantum Mechanics. Uppsala (SWE) 2016.
Títol:
Triplet Mediated C-N Dissociation vs Internal Conversion in Electronically Excited N-Methylpyrrole
Autors:
L. Blancafort, V. Ovejas, R. Montero, M. Fernández-Fernández, A. Longarte
Congrés:
XXI European Conference on the Dynamics of Molecular Systems. Toledo (ESP) 2016.
Títol:
Mechanism of Methanol and Water Photocatalytic Dissociation on TiO2(110)
Autors:
L. Blancafort, A. Migani

Presentació comunicació

Congrés:
6th Girona Seminar on Molecular Similarity. Girona (ESP) 2003.
Títol:
A valence-bond-based complete-active-space self-consistent-field method for the evaluation of bonding in organic molecules
Autors:
Blancafort, L.
Congrés:
20th Symposium on Photochemistry (IUPAC). Granada (ESP) 2004.
Títol:
Key role of a triple state crossing in the ultrafast decay of electronically excited cytosine
Autors:
Blancafort, L.; Robb, M. A.
Congrés:
Pomeranian Quantum Chemistry and Physics Workshop Electronic Structure of Atoms and Molecules.. Pobierowo (POL) 2005.
Títol:
Electron correlation on chemical bonding descriptors
Autors:
Matito, E.; Poater, J.; Silvi, B.; Blancafort, L..; Duran, M.; Solà, M.
Congrés:
International Chemical Congress of Pacific Basin Societies. Pacifichem 2005 . Honolulu (USA) 2005.
Títol:
Energetics of cytosine singlet excited-state decay paths - a difficult case for CASSCF and CASPT2
Autors:
Blancafort, L.
Congrés:
International Symposium on the Jahn-Teller Effects 2006. Trieste (ITA) 2006.
Títol:
Second-order analysis of conical intersections: curvature of the seam of conical intersection
Autors:
Blancafort, L.
Congrés:
VII Girona Seminar on the Nature of the Chemical Bond. Girona (ESP) 2006.
Títol:
Steric repulsion and aromaticity from a pseudo Jahn-Teller point of view
Autors:
Blancafort, L.
Congrés:
Radiation Damage in Biomolecular Systems (RADAM '07). Dublin (IRL) 2007.
Títol:
Photochemistry and photophysics of DNA nucleobases - Benign and degradative excited-state processes
Autors:
Blancafort, L.
Congrés:
XXIII International Conference on Photochemistry. Colònia (DEU) 2007.
Títol:
Benign and degradative excited-state processes of DNA nucleobases
Autors:
Blancafort, L.
Congrés:
Workshop on Theoretical Developments for Radiation Damage. Frejus (FRA) 2007.
Títol:
Photochemistry and photophysics of DNA nucleobases - Benign and degradative excited-state processes
Autors:
Blancafort, L.
Congrés:
XXII IUPAC Symposium on Photochemistry. Gothenburg (SWE) 2008.
Títol:
Photophysical and photochemical processes along extended seams of conical intersections
Autors:
Blancafort, L.
Congrés:
XIX International Symposium on the Jahn-Teller Effect . Heidelberg (DEU) 2008.
Títol:
Second-order analysis of conical intersections: Applications to photochmistry and photophysics of organic molecules
Autors:
Blancafort, L.; Lasorne, B.; Worth, G. A.; Robb, M. A.
Congrés:
45th Symposium on Theoretical Chemistry. Neuss (DEU) 2009.
Títol:
Photodynamics of thymine: potential energy surface and quasi-classical dynamics
Autors:
Blancafort, L.; Asturiol, D.; Lasorne, B.; Robb, M. A.
Congrés:
XX International Symposium on the Jahn-Teller Effect. Fribourg (CHE) 2010.
Títol:
Connectivity of seam of intersection segments related by permutational symmetry in benzene
Autors:
Li, Q.; Mendive-Tapia, D.; Paterson, M. J.; Migani, A.; Bearpark, M. J.; Robb, M. A.; Blancafort, L.
Congrés:
CECAM Workshop on Adiabatic and non-adiabatic methods in quantum dynamics. Lausanne (CHE) 2010.
Títol:
Fulvene excited state dynamics with MCTDH: double bond isomerization
Autors:
Blancafort, L.; Gatti, F.; Meyer, H.-D.
Congrés:
Pacifichem 2010 (International Chemical Congress of Pacific Basin Societies). Honolulu (USA) 2010.
Títol:
Exploring the sloped-to-peaked S2/S1 seam of intersection of thymine with electronic structure and direct quantum dynamics calculations
Autors:
Asturiol, D.; Lasorne, B.; Worth, G. A.; Robb, M. A.; Blancafort, L.
Congrés:
Pacifichem 2010 (International Chemical Congress of Pacific Basin Societies). Honolulu (USA) 2010.
Títol:
Excited state hydrogen transfer in ortho-nitro benzaldehyde: A correlation diagram translated to a conical intersection cascade
Autors:
Migani, A.; Leyva, V.; Feixas, F.; Corral, I.; González, L.; Blancafort, L.
Congrés:
26th International Conference on Photochemistry. Leuven (BEL) 2013.
Títol:
Photochemistry and photophysics of the amino and imino tautomers of 1-methylcytosine: tautomerisation as a side product of the radiationless decay
Autors:
L. Blancafort
Congrés:
VIIIth Congress on Electronic Structure, Principles and Applications (ESPA2012). Barcelona (ESP) 2012.
Títol:
Wave packet dynamics at an extended seam of conical intersection: mechanism of the light-induced Wolff rearrangement
Autors:
Q. Li, A. Migani, L. Blancafort
Congrés:
Faraday Discussion 163: Photo-initiated Quantum Molecular Dynamics. Nottingham (GBR) 2013.
Títol:
Photophysics of fulvene under the non-resonant Stark effect. Shaping the conical intersection seam
Autors:
S. Ruiz-Barragan, L. Blancafort
Congrés:
High-dimensional quantum dynamics: Challenges and opportunities 2012. Birmingham (GBR) 2012.
Títol:
Shaping the conical intersection seam of fulvene with the non-resonant Stark effect
Autors:
S. Ruiz-Barragan, L. Blancafort
Congrés:
19th International Conference on Materials for Advanced Technologies. Singapore (SGP) 2017.
Títol:
Restricted Access to a Conical Intersection (RACI) model to explain AIE in organic molecules
Autors:
L. Blancafort
Congrés:
28th International conference on Photochemistry. Strasbourg (FRA) 2017.
Títol:
Photocatalytic oxidation of methanol and water on TiO2(110) - A photochemical perspective
Autors:
L. Blancafort
Congrés:
28th International conference on Photochemistry. Strasbourg (FRA) 2017.
Títol:
Modulating the properties of the GFP chromophore combining theory and experiment
Autors:
L. Blancafort