Universitat de Girona > Directori > Pàgina personal
Anar al contingut (clic a Intro)
UdG Home UdG Home
Tancar
Menú

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:
International Conference on Aggregate Science (AIE2021). Guangzhou (CHN) 2021.
Títol:
Understanding AIE with Theory and Computations
Autors:
L. Blancafort
Congrés:
Pacifichem 2021. virtual (USA) 2021.
Títol:
Understanding AIE with excited state computations
Autors:
L. Blancafort
Congrés:
CECAM meeting: Theoretical and Computational Inorganic Photochemistry: Methodological Developments, Applications and Interplay with Experiments. Toulouse (FRA) 2019.
Títol:
An excited-state picture for photocatalysis on TiO2 surfaces
Autors:
L. Blancafort
Congrés:
17th Congress International Union of Photobiology and 18th Congress of the European Society for Photobiology. Barcelona (ESP) 2019.
Títol:
Computational studies of photosensitized damage in DNA and beyond
Autors:
L. Blancafort
Congrés:
International Conference on Theoretical and High Performance Computational Chemistry 2019. Guiyang (CHN) 2019.
Títol:
Computational Studies of Molecular Excited States
Autors:
L. Blancafort
Congrés:
2019 Materials Research Society Fall Meeting. Boston (USA) 2019.
Títol:
Understanding AIE with Theory and Computations
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
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:
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:
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:
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.

Pòster

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
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:
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:
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 - 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:
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:
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:
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:
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:
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.

Presentació comunicació

Congrés:
Pacifichem 2021. virtual (USA) 2021.
Títol:
Volume-conserving decay mechanism for GFP chromophore photodynamics
Autors:
L. Blancafort
Congrés:
XXXVII Reunión Bienal, Real Sociedad Española de Química. Donosti (ESP) 2019.
Títol:
A volume-conserving coordinate for the excited-state decay of the GFP chromophore
Autors:
L. Blancafort
Congrés:
Girona Seminar on Predictive Catalysis. Girona (ESP) 2018.
Títol:
What controls photocatalytic water oxidation on TiO2?
Autors:
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
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:
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:
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:
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:
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:
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:
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:
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:
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:
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:
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:
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:
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.

Escull quins tipus de galetes acceptes que el web de la Universitat de Girona pugui guardar en el teu navegador.

Les imprescindibles per facilitar la vostra connexió. No hi ha opció d'inhabilitar-les, atès que són les necessàries pel funcionament del lloc web.

Permeten recordar les vostres opcions (per exemple llengua o regió des de la qual accediu), per tal de proporcionar-vos serveis avançats.

Proporcionen informació estadística i permeten millorar els serveis. Utilitzem cookies de Google Analytics que podeu desactivar instal·lant-vos aquest plugin.

Per a oferir continguts publicitaris relacionats amb els interessos de l'usuari, bé directament, bé per mitjà de tercers (“adservers”). Cal activar-les si vols veure els vídeos de Youtube incrustats en el web de la Universitat de Girona.