QCEXVAL Conferences and Courses

Conferences and courses with our participation

2016

Congress: "7th European Symposium on Computing π-Conjugated Compounds"
12-13 February 2016, Bourdeaux, France.
Contributions:

A. Francés-Monerris, J. Segarra-Martí, M. Merchán, and D. Roca-Sanjuán
Oral Communication:"On the competition between the intra- and inter-strand photochemical pathways in the Guanine-Cytosine/Cytosine trimer: A CASSCF/CASPT2 study"
D. Roca-Sanjuán, A. Francés-Monerris, and P. Farahani
Oral Communication:"Non-adiabatic processes in photochemistry, chemiluminescene, and dark photochemistry"
M. Marazzi, S. Mai, H. Gattuso, D. Roca-Sanjuán, L. González, and A. Monari
Oral Communication:"DNA photosensitization by benzophenone: Feasibility and relevance of energy transfer and hydrogen abstraction mechanisms"

Conference: “V^thSpanish-Portuguese Conference on Photochemistry”
7-10 September, 2016. Toledo, Spain.
Contributions:

M. Marazzi, H. Gattuso,D. Roca-Sanjuán, L. González, A. Monari
Oral Communication:"From non-covalent binding to irreversible DNA lesions: Organic dyes as photosesitizing agents"
D. Roca-Sanjuán, E. Dumont, A. Francés-Monerris, M. Merchán
P�ster:"DNA photosensitisation: A theoretical insight"

2015
- Congress: "XVIII Simpósio Brasileiro de Química Teórica, SBQT2015"
  22-25 November 2015, Pirenópolis - Goiás, Brazil.
  Contributions:
  - P. Farahani, D. Roca-Sanjuán and W. J. Baader
    Invited Conference:"Theoretical Strategies on Chemiluminescence Reactions"
- Congress: "CECAM Workshop - DNA damages: Modeling and rationalize structure and reactivity"
  3-6 November 2015, Lyon, France.
  Contributions:
  - D. Roca-Sanjuán, A. Francés-Monerris, and M. Merchán
    Invited Conference:"DNA damage by UV light, OH/H radicals and low energy electrons: A theoretical insight from CASSCF/CASPT2 computations”
  - A. Francés-Monerris, F. Sch�ppel, M. Merchán, and D. Roca-Sanjuán
    Oral Communication:"A theoretical study on the OH/H radical addition to DNA/RNA pyrimidines and the photochemistry of the adducts"
- Congress: "1st International Workshop on Bioluminescence, IWB2015"
  11-15 September 2015, Beijing, China.
  Contributions:
  - D. Roca-Sanjuán, A. Francés-Monerris, P. Farahani, M. Lundberg, and R. Lindh
    Oral Communication:"Non-Adiabatic Computational Chemistry Applications to Photochemistry, Chemiluminescence, and Dark Photochemistry"
- Congress: "XXXV Bienal RSEQ"
  19-23 July 2015, A Coruña, Spain.
  Contributions:
  - Juan Z. Dávalos, Rafael Notario, Moisés Canle-L., Arturo Santaballa, Isabel Fernández, Douglas J. Klein, Debojit Bhattacharya, Vladimir Rosenfeld, Juanjo Ru�, Diego R. Alcoba, Gustavo Massaccessi, Ofelia B. O�a, Alicia Torre, Luís Laón, Drahom�r Hnyk, Josef Holub, Michael Londesborough, Daniel Roca-Sanjuán, Antonio Francés-Monerris, Neil L. Allan, Clara Viñas, Francesc Teixidor, Josep M. Oliva
    Poster:"Boron: The Forgotten Element? "

2014
- Congress: "XL Congreso de Químicos Teóricos de Expresión Latina, QUITEL2014"
  23-30 November 2014, San Cristóbal, Galápagos Islands, Equator.
  Contributions:
  - A. Francés-Monerris, M. Merchán, and D. Roca-Sanjuán
    Poster:"Damage to DNA/RNA nucleobases by UV radiation and reactive oxygen species. I. Dissociation mechanisms caused by low energy electrons (0-3 eV)"
  - A. Francés-Monerris, M. Merchán, and D. Roca-Sanjuán
    Poster:"Damage to DNA/RNA nucleobases by UV radiation and reactive oxygen species. II. OH radical addition and photochemistry of the hydroxylated products"
- Congress: "The Ninth Annual Conference on the Physics, Chemistry and Biology of Water"
  9-12 October 2014, Pamporovo, Bulgaria.
  Contributions:
  - J. Segarra-Martí, D. Roca-Sanjuán, and M. Merchán
    Poster:"Quantum-Chemical Insights on the Search for the Molecular Structure of Biological Water"
- Congress: "9th Congress on Electronic Structure: Principles and Applications, ESPA2014"
  2-4 July 2014, Badajoz, Spain.
  Contributions:
  - Salmahaminati, R. Broer, R. W. A. Havenith, M. Merchán, and D. Roca-Sanjuán
    Poster:"Photophysics and Photochemistry of Sunlight-Absorbing Amino Acids: A CASSCF/CASPT2 Study"
  - T. Lemishko, A. Francés-Monerris, and D. Roca-Sanjuán
    Poster:"On the N-H and C-NH2 Bond Dissociation in Guanine by Low Energy Electrons: A CASSCF/CASPT2 Study"
  - M. K. Wibowo, V. Sauri, M. Rubio, D. Roca-Sanjuán, and M. Merchán
    Poster:"A RASPT2 Study of the Electronic Absorption Spectrum of Porphycene"
  - A. Francés-Monerris, M. Merchán, and D. Roca-Sanjuán
    Oral Communication:"Dissociative Electron Attachment in DNA Nucleobases by Low Energy Electrons (0-3 eV): A CASSCF/CASPT2 Study"
  - D. Roca-Sanjuán, A. Francés-Monerris, and P. Farahani
    Oral Communication:"Towards the Understanding of the Molecular Basis of the Chemiluminescence Phenomenon"
- Congress: "The 18th International Symposium on Bioluminescence and Chemiluminescence, ISBC2014"
  23-28 June 2014, Uppsala, Sweden.
  Contributions:
  - P. Farahani, M. Lundberg, R. Lindh, and D. Roca-Sanjuán
    Oral Communication:"CASPT2//CASSCF Study Of the Ring-opening Mechanism of Dewar Dioxetane"
  - D. Roca-Sanjuén, P. Farahani, A. Francés-Monerris, and R. Lindh
    Oral Communication:"Engineering Chemiluminescent Properties by Means of Non-Adiabatic Computational Chemistry"
  - A. Francés-Monerris, D. Roca-Sanjuén, I. Fernández Galván, and R. Lindh
    Poster:"Towards the Understanding of the Larger Phosphorescence Quantum Yield than Fluorescence in Dioxetanone"
- Conference: "Fotoquímica y quimioluminiscencia computationaal: Una poderosa herramienta para el estudio de los fenómenos de interacción luz-materia
  4 June 2014, Departamento de Química Analítica, Química Física e Ingeniería Qu�mica, Alcalá de Henares, Spain.
  Participant: Daniel Roca-Sanjuán
  Invited by: Luis Manuel Frutos Gaite

2013
- Congress: "XVII Simpósio Brasileiro de Química Teórica"
  24-28 November 2013, Angras dos Reis, Brazil.
  Contributions:
  - A. Giussani, J. P. Gobbo, and A. C. Borin
    Poster:"Photophysics of non-canonical nucleobases"
- Congress: "The Eighth Annual Conference on the Physics, Chemistry and Biology of Water"
  22-25 October 2013, Samokov, Bulgaria.
  Contributions:
  - J. Segarra-Martí, M. Rubio, D. Roca-Sanjuán, and M. Merchán
    Poster:"Towards the Understanding of the absorption and emission spectra of Structured-Water: a Fingerprint of π-Stacked Water"
  - D. Roca-Sanjuán, J. Segarra-Martí, and M. Merchán
    Poster:"On the Ice-Like Model of Structured Water: A Spectroscopic Analysis from Quantum-Chemical Computations"
- Congress: "9th European Conference on Computational Chemistry (EUCO-CC9)"
  1-5 September 2013, Sopron, Hungary.
  Contributions:
  - A. Giussani, D. Roca-Sanjuán, and M. Merchán
    Oral Communication:"On the photoinduced formation mechanism of cyclobutane pyrimidine dimers"
  - A. Giussani, D. Roca-Sanjuán, and M. Merchán
    Oral Communication:"Photochemical reaction path towards thymine-thymine (6-4) adduct formation"
  - Dumitru-Claudiu Sergentu, D. Roca-Sanjuán, Remco W. A. Havenith, M. Merchán, R. Broer
    Oral Communication:"Revisiting the Intersystem Crossing in Benzophenone"
  - D. Roca-Sanjuán, M. Merchán, R. Lindh
    Oral Communication:"Towards the Understanding of the Chemiluminescence of Luminol"
- Event: "14th European Summerschool in Quantum Chemistry 2013"
  8-21 September 2013, Palermo, Italy.
  Contributions:
  - A. Francés-Monerris, M. Merchán, and D. Roca-Sanjuan
    Poster:"On the assignation of the electronic spectra of the addition of .OH to the pyrimidinic nucleobases and the photochemistry of 6-hydroxyurac-5-yl radical: a CASPT2//CASSCF study"
- Conference: "Electronic Spectra of .OH Adducts of Uracil, Dihydrouracil, Thymine and Cytosine and Photochemistry of 6-hydroxyurac-5-yl radical: a CASSCF/CASPT2 study"
  Norwegian University of Science and Technology (NTNU); invited by Prof. Dr. Henrik Koch
  24 August 2013, Trondheim, Norway.
  Participants: A. Francés-Monerris, M. Merchán, and D. Roca-Sanjuán
- Conference: "Photochemistry and Chemiluminescence of Biological Systems: A Theoretical Approach"
  Departament of Theoretical Chemistry, Zernike Institute for Advanced Materials; invited by Prof. Dr. Ria Broer
  26 July 2013, Groningen, The Netherlands.
  Participant: D. Roca-Sanjuán
- Congress: "XXXIX International Conference of Theoretical Chemists of Latin Expression, QUITEL-2013"
  30 Juny - 5 July 2013, Granada, Spain.
  Contributions:
  - Daniel Roca-Sanjuán
    Oral Communication:"Computational Photochemistry and Chemiluminescence in Biological Systems"
  - A. Francés-Monerris, M. Merchán, and D. Roca-Sanjuán
    Oral Communication:"Electronic spectra of .OH Adducts of Uracil, Thymine and Cytosine: A CASPT2//CASSCF Study"

2012
- Congress: "8th Congress on Electronic Structure: Principles and Applications, ESPA 2012"
  Barcelona (Spain), 26-29 de Junio de 2012
  Contributions:
  - V. Sauri, M. G. S. Londesborough, D. Hnyk, J. Bould, L. Serrano-Andrés, M. Merchán, J. M. Oliva, P. Kub�t, T. Pol�vka, K. Lang
    Poster: "Photophysics of the isomers of B18H22 and 4,4-(HS)2-B18H20: Interplay between Theory and Experiment"
- Congress: "1st Ph.D. Workshop of the JDP on Theoretical Chemistry"
  Barcelona (Spain), 25-26 de Junio de 2012
  Contributions:
  - J. Segarra-Martí, D. Roca-Sanjuán, and M. Merchán
    Oral Communication: "Ab initio Determination of the Ionization Potentials of Water Clusters"
- Congress: "Electronic Structure Theory for Strongly Correlated Systems"
  Universities of Palermo, Torre Normana, Palermo, ITALY, 30th May - 1st June 2012
  Contributions:
  - A. Giussani, L. Serrano-Andrés, M. Merchán, D. Roca-Sanjuán, and M. Garavelli
    Poster: "On the Photoproduction Mechanism of the Thymine-Thymine (6-4) Adduct"
  - M. Rubio
    Conference: "Ionization Potentials of DNA Nucleotides: a CASPT2 study"
- Congress: "3^rd European Symposium on computing π-conjugated compounds"
  2-4 February 2012, Mons, Belgium.
  Webpage
  Participants:
  - A. Giussani, I. González-Ramírez, D. Roca-Sanjuán, M. Merchán, R. Lindh.
    Oral Communication:"Understanding the Photophysics of Basic Aromatic Chromophores"

2011
- Course: "6th IIC-EMTCCM, International Intensive Course - European Master in Theoretical Chemistry and Computational Modelling"
  Universitat de València (ICMol), València, SPAIN, 12th September - 8th October, 2011
  Contributions: Professor
  - D. Roca-Sanjuán
    Course: "Computational Photochemistry in Biological Systems"
- Congress: "21^er Encuentro Ibérico para la Enseñanza de la Física. XXXIII Reunión Bienal de la Real Sociedad Española de Física"
  Santander (España), 19 de Septiembre - 1 de Octubre de 2011
  Contributions:
  - D. R. Alcoba, A. Chana, J. Z. Dávalos, F. J. González, A. Guerrero, D. J. Klein, M. Merchán, J. M. Oliva, V. Sauri.
    Poster: "Molecular Architectures in Polyhedral Heteroboranes: Interplay between Physics and Chemistry"
- Congress: "242nd ACS National Meeting & Exposition. Chemistry of Air, Space & Water"
  ACS, Denver, Colorado, USA, 28th August - 1st September, 2011
  Contributions:
  - D. Roca-Sanjuán and M. Merchán
    Invited Conference: "Towards the Understanding of DNA Photochemistry: Monomers and Dimers of Nucleobases"
- Congress: "Strongly correlated systems, cooperativity, and valence-bond theory"
  A Coruña (España), 23-24 de Julio de 2011
  Contributions:
  - T. G. Schmalz, L. Serrano-Andrés, V. Sauri, M. Merchán, and J. M. Oliva
    Poster: "Parametrization of the Extended Hubbard Model for Hydrocarbons Derived from RASPT2 Potential Energy Curves of Stretched Ethene"
- Congress: "Excited States and Non-Adiabatic Processes in Complex Systems. Theoretical Approaches"
  Universitat Rovira i Virgili and Universitat de Girona, Sant Feliu de Guixols, Girona, SPAIN, 25th-27th July 2011
  Contributions:
  - D. Roca-Sanjuán, J. J. Serrano-Pérez, G. Olaso-González, I. González-Ramírez, P. B. Coto, T. Climent, V. Sauri, A. Giussani, J. Segarra, J. P. Gobbo, M. Rubio, V. Pérez, R. González-Luque, L. Serrano-Andrés, and M. Merchán
    Conference: "Non-Adiabatic Photoreactivity in π-Stacked Pyrimidine Dimers"
  - D. Roca-Sanjuán, A. Giussani, R. Lindh, and M. Merchán
    Poster: "Photophysics of Xanthopterin, A Light-Harvesting Molecule"
  - V. Sauri, A. Giussani, J. Segarra-Martí, D. Roca-Sanjuán, and M. Merchán
    Poster: "Multiconfigurational Second-Order Perturbation Theory: RASPT2 Benchmark Calculations and CASPT2 Applications in Spectroscopy and Photochemistry"
- Congress: "WATOC 2011 Ninth Triennial Congress of the World Association of Theoretical and Computational Chemists "
  Universidad de Santiago, Santiago de Compostela, SPAIN, 17th-22nd July 2011
  Contributions:
  - I. González-Ramírez, D. Roca-Sanjuán, M. Rubio, L. Serrano-Andrés, and M. Merchán
    Conference: "CASPT2 Investigation on the N1-H and N3-H Bond Dissociation by Low Electrons in Uracil"
  - J. Segarra-Martí, D. Roca-Sanjuán, and M. Merchán
    Poster: "Determination of the Ionization Potential of Water Clusters (H2O)n [n=2-6] by Using Different Ab Initio Approaches"
  - V. Sauri, L. Serrano-Andrés, J. J. Serrano-Pérez, D. Roca-Sanjuán, and M. Merchán
    Poster: "Excited-State Hydrogen/Proton Transfer Processes in the Guanine-Cytosine Base Pair"
  - A. Giussani, M. Merchán, and D. Roca-Sanjuán
    Poster: "On the Photophysics of the Indole Chromophore by Using a Totally Unconstrained Theoretical Approach"
  - R. González-Luque, G. Olaso-González, V. Pérez-Mondéjar, M. Merchán, P. B. Coto, L. Serrano-Andrés, and M. Garavelli
    Poster: "On the Role of the Triplet State in the cis/trans Isomerization of Rhodopsin"
- Congress: "2^nd European Symposium on computing π-conjugated compounds"
  3-5 February 2011, Limoges, France.
  Webpage
  Participants:
  - Daniel Roca-Sanjuán, Conference
    Title:"Photoproduction of cyclobutane pyrimidine dimers in DNA/RNA: A comparative analysis" Together with University of Uppsala
  - Angelo Giussani, Conference
    Title:"On the photophysics of the indole chromophore by using a totally unconstrained theoretical approach"
  - Vicenta Saurí, Conference
    Title:"Performance of the RASPT2 method to compute potential energy curves"

2010
- Congress: "8th european Conference on Computational Chemistry: Satellite meeting to 3rd EuChemMS cChemistry Congress in Nurnberg"
  25-28 August 2010, Lund, Sweden.
  Webpage
  Participants:
  - Luis Serrano-Andrés, Conference
    Title:"Photochemistry and Quantum Chemistry: the New Frontiers"
  - Angelo Giussani, Israel González-Ramírez, Teresa Climent, Manuela Merchán and Luis Serrano-Andrés, Poster
    Title:"The photochemistry of DNA: Photoexcited DNA base pair and bipyrimidine lesions"
- Congress: "10th European Conference on Atoms, Molecules and Photons"
  Palacio de Congresos de Salamanca, 4th-9th July, 2010
  Webpage
  Participants:
  - Luis Serrano-Andrés, Conference
    Title:"Photophysics of molecules of biological interest"
- Congress: "ESPA 2010 Electronic Structure: Principles and Applications"
  Universitad de Oviedo, Oviedo, SPAIN, 29th Juny-2nd July, 2010
  Contributions:
  - I. González-Ramírez, D. Roca-Sanjuán, M. Rubio, M. Merchán, and L. Serrano-Andrés
    Poster: "Ab Initio Study of Hydrogen Dissociation in Uracil by Low Energy Electrons"
  - M. Rubio, D. Roca-Sanjuán, M. Merchán, and L. Serrano-Andrés
    Poster: "Ionization Potentials of DNA Nucleotides: a CASPT2 Study"
  - A. Giussani, D. Roca-Sanjuán, G. Olaso-González, J. J. Serrano-Pérez, M. Merchán, and L. Serrano-Andrés
    Poster: "The Photochemistry of DNA: Photoexcited DNA Base Pairs and the Nature of the Excimer-Exciplex States"
  - V. Sauri, L. Serrano-Andrés, S. Vancoille, and K. Pierloot
    Poster: "Performance of the RASPT2 Method to Compute Excited States"
  - J. J. Serrano-Pérez; Together with GEM² group from University of Barcelona
    Oral Communication:"On the structural and electronic properties of AlQ₃"
- Congress: "II Jornadas de Jóvenes Investigadores en Física Atómica y Molecular (II Young Researchers in Atomic and Molecular Physics Meeting)"
  Universitat de Barcelona, 21st-22nd January, 2010
  Webpage
  Participants:
  - Juan José Serrano-Pérez, Conference
    Title:"Phototherapy with Furocoumarins: A Quantum-Chemical Study"

2009
- Course: 5th Training WorkShop on the Use of MOLCAS
  Organized by the University of Minnesota (USA)"
  Minneapolis, USA, 4th - 8th, May 2009
  Teachers from Valencia: Luis Serrano-Andrés
  Teachers from Lund: R. Lindh, P. A. Malmqvist, V. Veryazov
  Webpage
- Conference:"QM/MM Studies in Photobiological Compounds"
  Institute of Theoretical Physics, University of Erlagen-Nuremberg, Germany
  Erlagen, 6th May, 2009
  Participant: Pedro B. Coto, Conference
- Conference:"Molecular Basis of Photobiology in the Light of Quantum Chemistry: From DNA Photochemistry to Phototherapy with Psoralens"
  Departamento de Química Física, University of Alcalá, Spain
  Alcalá de Henares, 11th June, 2009
  Participant: Luis Serrano-Andrés, Conference
- Congress: "13th ICQC: International Conference in Quantum Chemistry"
  University of Helsinki, Finland, 22th-27th June, 2009
  Webpage
  Participants:
  - Luis Serrano-Andrés, Poster
    Title:"Molecular Basis of DNA Photochemistry from Multiconfigurational Quantum Chemistry"
  - Pedro B. Coto, Poster
- Course:"Excited States"
  Third Summer School in Theoretical and Computational Chemistry of Catalonia,
  Girona, Spain, 8th July, 2009
  Participant: Luis Serrano-Andrés, Lecturer
- Congress: "10th Iberian Joint Meeting in Atomic and Molecular Physics
  University of Santiago de Compostela, Santiago de Compostela, 12th-15th July, 2009
  Webpage
  Participants:
  - Luis Serrano-Andrés, Invited Conference
    Title:""
- Congress: "IX Congreso Nacional de Fotoquímica
  Universidad del País Vasco, Bilbao, 20th-23rd September, 2009
  Participants:
  - Luis Serrano-Andrés, Invited Conference
    Title:""

2008
- Congress: "International Conference in Isolated Biomolecules and Biomolecular Interactions"
  Universidad de Valladolid, Spain, 13th - 18th April, 2008
  Webpage
  Participants:
  
  Juan José Serrano-Pérez, Conference
  Title:"Studies on Phototherapy: Psoralen"
  
  Mercedes Rubio, Poster
  Title:"Theoretical Determination of the Ionization Potentials of Nucleobases and Nucleotides"
  
  Pedro B. Coto, Poster
  
  Daniel Roca-Sanjuán, Poster
  Title:"Modeling Reactivity in DNA: Charge Transfer and Transport"
  
  Gloria Olaso-González, Poster
  
  Israel González-Ramírez, Poster
- Course: 3rd Training WorkShop on the Use of MOLCAS
  Organized by the University of Lund (Sweden)
  Lund, Sweden, 14th - 18th, April 2008
  Teachers from Valencia: Luis Serrano-Andrés
  Teachers from Lund: B. O. Roos, R. Lindh, P. A. Malmqvist, V. Veriazov
  Webpage
- Course: 4th Training WorkShop on the Use of MOLCAS
  Organized by the University of Bratislava (Slovakia)
  Bojnice, Slovakia, 9th - 13th, July 2008
  Teachers from Valencia: Luis Serrano-Andrés
  Teachers from Lund: B. O. Roos, R. Lindh, P. A. Malmqvist, V. Veriazov
  Webpage
- Congress: "19th IUPAC Conference on Physical Organic Chemistry 2008"
  Universidade de Santiago de Compostela
  Santiago de Compostela, Spain, 13th - 18th July, 2008
  Webpage
  Participants: Luis Serrano-Andrés, Conference
  Title:"Quantum-Chemical Methods and Strategies in Modern Photochemistry: Photostability and Photoreactivity of Nucleic Acid Monomers and Dimers"
- Congress: "XXIInd IUPAC Symposium on Photochemistry"
  University of Gothenburg
  Gothenburg, Sweden, 28th July - 1st August, 2008
  Webp age
  Participants: Luis Serrano-Andrés, Conference
  Title:"Photochemistry of DNA: A Quantum Chemical View"
- Congress: "2nd EuCheMS Chemistry Congress. Chemistry: The Global Science"
  European Association for Chemical and Molecular Sciences and Societá Chimica Italiana
  Torino, Italy, 16th - 20th September, 2008
  Webpage
  Participants: Manuela Merchán, Conference
  Title:""
- Congress: "2008 Congress of the World Association of Theoretical Oriented Chemistry"
  University of Sydney, Australia, 14th-19th September, 2008
  Webpage
  Participants:
  
  Luis Serrano-Andrés, Invited Conference
  
  Poster, with J. A. Gamez, O. Mo, M. Yañez
  Title:"Theoretical Study of Electron and Hidrogen Attachment to Disulphide Derivatives"
  
  Pedro B. Coto, Poster

2007

Conference:"How Theory Can Change Paradigms: Quantum Chemistry, Conical Intersections, and Photochemistry"
Institut für Theoretische Chemie, Universitát Düsseldorf, Germany
Düsseldorf, 31th January, 2007
Participant: Luis Serrano-Andrés, Conference

Course:"Química Teórica y Computacional"
Universidad de Cantabria, Santander, Spain
22th January - 17th February, 2007
National Spanish Ph. D. Program
Participant: Luis Serrano-Andrés, Lecturer
Title: "Estudio Teórico de Estados Excitados" (12th-17th February)

Course:"Química Cuántica"
Universitat de València, Spain
February - May, 2007
Participant: Manuela Merchán, Lecturer

Congress: Symposium on Radiation Effects of Biomedical Interest
Consejo Superior de Investigaciones Científicas
Madrid, Spain, 22nd-25th February, 2007
Webpage
Participant: Juan-José Serrano-Pérez, Poster
Title: "On the Nature of the Interaction between Psoralen and Thymine in PUVA Therapy"

Congress: International Symposium Molecular Response to Electronic Excitation
Universitát de Düsseldorf
Bad Mönstereifel, Germany, 16st-18st April, 2007
Webpage
Participant: Juan-José Serrano-Pérez, Poster
Title: "A Quantum-Chemical Study of the Photosensitizing Action of Psoralen"

Congress: Ab initio simulations in photochemistry: bringing together nonadiabatic dynamics and electronic structure theory
Centre Europ�en de Calcul Atomique et Mol�culaire, CECAM
Lyon, France, 22nd-25st May, 2007
Webpage
Participant: Luis Serrano-Andrés, Conference
Title: "CASSCF/CASPT2 Potential Energy Hypersurfaces and the Photochemistry of Biochromophores: Reaction Paths, Conical Intersections, and the Role of the Correlation Energy"

Congress: RADAM07, 4th Meeting COST Action P9 on Radiation Damage
The Royal College of Surgeons
Dublin, Ireland, 19th-22nd June, 2007
Webpage
Participant: Luis Serrano-Andrés, Poster
Title:

Course:2nd Training WorkShop on the Use of MOLCAS
Organized by Universities of Geneva (Switzerland), Lund (Sweden), and Valencia (Spain)
Villars, Switzerland, 1st - 5th July, 2007
Teachers from Valencia: Luis Serrano-Andrés
Teachers from Lund: R. Lindh, P. A. Malmqvist, V. Veriazov
Teachers from Geneva: L. Gagliardi
Webpage

Congress: Photosynthesis 2007
Society for Experimental Biology and International Society of Photosynthesis Research
Glasgow, UK, 22nd-27th July, 2007
Webpage
Participant: Gloria Olaso-González, Poster
Title:Ultrafast Electron Transfer in Photosynthesis: Reduced Pheophytin and Quinone Interactions Mediated by Conical Intersections

Congress: 234th ACS National Meeting: Excited Electronic States in Chemistry and Biology: Theory and Experiment
Excited Electronic States in Chemistry and Biology: Theory and Experiment
ACS, Boston, USA, 19th - 23rd August, 2007
Webpage
Participants:

Luis Serrano-Andrés, Conference and Posters
Title: "Molecular Basis of the Photostability and Photoinduced Reactivity in Biomolecules"
Title: "Bioexcimers as Precursors of Charge Transfer and Reactivity in Photobiology"
Title:"Ultrafast energy relaxation in DNA/RNA base monomers"
Title:"Studies on phototherapy: Psoralen"

Pedro B. Coto, Poster

Congress: International Conference of Computational Methods in Sciences and Engineering, ICCMSE 2007
Modeling Complex Molecular and Biomaterial Systems
University of Peloponnese.
Corfu, Greece, 27th - 30st September, 2007
Webpage
Participants:

Luis Serrano-Andrés, Conference
Title: "Molecular Basis of the Photostability and Photoinduced Reactivity in Biomolecules"

Gloria Olaso-González, Poster

2006

Conference:"Cómo la Teoría Puede Cambiar Paradigmas: Química Cuántica, Intersecciones Cónicas y Fotoquímica"
Instituto de Química Física Rocasolano, Consejo Superior de Investigaciones Científicas
Madrid, Spain, 24th January, 2006
Participant: Luis Serrano-Andrés, Conference

Course:"Química Teórica y Computacional"
Universitat Rovira i Virgili, Tarragona, Spain
16th January - 11th February, 2006
National Spanish Ph. D. Program
Participant: Luis Serrano-Andrés, Lecturer
Title: "Estudio Teórico de Estados Excitados" (6th-11th February)

Course:"Química Cuántica"
Universitat de València, Spain
February - May, 2006
Participant: Manuela Merchán, Lecturer

Congress: XXIst IUPAC Symposium on Photochemistry
Kyoto University
Kyoto, Japan, 2nd-7th April, 2006
Webpage
Participant: Luis Serrano-Andrés, Poster
Title: "Adenine and 2-Aminopurine: Paradigms of Modern Theoretical Photochemistry"

Conference:"How Theory Can Change Paradigms: Quantum Chemistry, Conical Intersections, and Photochemistry"
Department of Synthetic and Biological Chemistry, University of Kyoto, Japan
Kyoto, 7th April, 2006
Participant: Luis Serrano-Andrés, Conference

Course:Training WorkShop on the Use of MOLCAS
Organized by Universitat de València, Spain, and University of Lund, Sweden
Valencia, Spain, 19th April - 23rd April, 2006
Teachers from Valencia: Luis Serrano-Andrés
Teachers from Lund: B. O. Roos, R. Lindh, P. A. Malmqvist, V. Veriazov
Webpage

Congress: XIIth International Conference in Quantum Chemistry, XIIth ICQC
University of Kyoto
Kyoto, Japan, 21st-26th May, 2006
Webpage
Participant: Ingo Barth, Leticia González, J �rn Manz, Guennaddi Paramonov, Luis Serrano-Andrés, Yasuteru Shigeta, and Kiyoshi Yagi, Poster
Title: "Electronic Ring Currents and Electron Circulations Driven by Circularly Polarized Few Cycle Laser Pulses"

Congress: RADAM06, 3rd Meeting COST Action P9 on Radiation Damage
Rijksuniversiteit Groningen
Groningen, The Netherlands, 6th-9th June, 2006
Webpage
Participant: Luis Serrano-Andrés, Tutorial Conference
Title: "Quantum Chemistry and Biological Systems"

Course: 9th Sostrup Summer School: Quantum Chemistry and Molecular Properties
Universities of Aarhus, Denmark, and Oslo, Norway
Sostrup, Denmark, 25th June - 7th July, 2006.
Webpage
Participants:

Gloria Olaso-González

Daniel Roca-Sanjuán

Juan José Serrano-Pérez

Congress: Electronic Structure: Principles and Applications, ESPA2006
Universidade de Santiago de Compostela
Santiago de Compostela, España, 18th-21st July, 2006
Webpage
Participants:

Gloria Olaso-González, Poster
Title:"Toward an Understanding of Ultrafast Electron Transfer in Photosynthesis"

Juan José Serrano-Pérez, Poster
Title:"Effective Population Mechanism of the Lowest Triplet State in Psoralens"

Conference: Quantum Chemistry and Modern Photochemistry: DNA Nucleobases and the Conical Intersection Concept
Instituto de Física, Universidade de Sao Paulo, Brazil
Sao Paulo, Brazil, 11th August, 2006
Instituto de Química, Universidade de Sao Paulo, Brazil
Sao Paulo, Brazil, 16th August, 2006
Participant: Luis Serrano-Andrés, Conference

Course: Ab Initio Multiconfigurational Methods: Introduction and Recent Applications
Organized by Universidade de Sao Paulo, Brazil
Sao Paulo, Brazil, 21th August - 25rd August, 2006
Teachers from Valencia: Luis Serrano-Andrés
Teachers from Lund: B. O. Roos, R. Lindh
Webpage

Congress: 1st European Chemistry Congress
European Association for Chemical and Molecular Sciences, EuCheMS
Budapest, Hungary, 27th-31st August, 2006.
Webpage
Participant: Josep M. Oliva y Luis Serrano-Andrés, Poster
Title: "Electronic Properties of Diradical Carborane Dimers"

Congress: 8th Iberian Joint Meeting on Atomic and Molecular Physics, IBER 2006
Real Sociedad Española de Física
Aranjuez, Spain, 1st-4th September, 2006.
Webpage
Participant: Luis Serrano-Andrés, Invited Conference
Title: "Quantum Chemistry and Biomolecules: Photoreactivity in DNA/RNA Nucleobases"

Conference:"Quantum Chemistry and Photobiology"
Departamento de Química Física, Universidad del País Vasco, Bilbao Spain
Bilbao, 2nd November, 2006
Participant: Manuela Merchán, Conference

2005

Congress: XIX Reunión del Grupo Español de Fotobiología
Academia Española de Dermatología
Valencia, Spain, 28th-29th January, 2005.
Participants:

Juan José Serrano-Pérez, Conference
Title:"Fotofísica del Psoraleno"

Luis Serrano-Andrés

Course:"Química Teórica y Computacional"
Universidad de Extremadura, Badajoz, Spain
17th January - 12th February, 2005
National Spanish Ph. D. Program
Participant: Luis Serrano-Andrés, Lecturer
Title: "Estudio Teórico de Estados Excitados" (7th-12th February)

Course:"Química Cuántica"
Universitat de València, Spain
14th February - 24th May, 2005
Graduate Course, Chemistry Degree
Participant: Manuela Merch�n, Lecturer

Congress: RADAM05, 2nd Meeting COST Action P9 on Radiation Damage
Hahn-Meitner Institute
Postdam, Germany, 16th-20th March, 2005
Webpage
Participant: Luis Serrano-Andrés, Poster
Title: "Deactivation Pathways of Excited Adenine"

Congress: 7th Iberian Joint Meeting on Atomic and Molecular Physics, IBER 2005
Sociedade Portuguesa de Física
Lisbon, Portugal, 21st-23rd March, 2005.
Webpage
Participants:

Manuela Merchán, Conference
Title:"Quantum Chemistry, Electronic Excited States, and DNA Bases"

Juan José Serrano-Pérez, Poster
Title:"Theoretical Study of the Absorption and Emission Spectra of Psoralen"

Conference:"Química Cuántica del Estado Excitado: Una Visión Actual de la Fotoquímica"
Departamento de Química Física, Universidade de Vigo, Spain
Vigo, 20th May, 2005
Participant: Luis Serrano-Andrés, Conference

Conference:"How Theory Can Change Paradigms: Quantum Chemistry, Conical Intersections, and Photochemistry"
Physical Chemistry Society, University of Vienna, Austria
Vienna, 24th June, 2005
Participant: Luis Serrano-Andrés, Conference

Congress: XXI Reunió de la Xarxa de Química Teórica
Universitat Autónoma de Barcelona
Barcelona, Spain, 11th-12th July, 2005.
Webpage
Participants:

Manuela Merchán, Conference
Title:"Correlación Diferencial y Vida en Color"

Luis Serrano-Andrés

Course: ESQC-05: European Summerschool in Quantum Chemistry
Universities of Lund, Sweden, Palermo, Italy, and Warwick, UK
Torre Normanda, Sicily, Italy, 5th-18nd September, 2005.
Webpage
Participants:

Teresa Climent

Israel González-Ramírez

Gloria Olaso-Gonález

Daniel Roca-Sanjuán

Juan José Serrano-Pérez

Congress: XXXI Congreso de Químicos Teóricos de Expresión Latina
Universidad de Caracas,
Isla Margarita, Venezuela, 2nd-6th October, 2005.
Webpage
Participants: Daniel Roca-Sanjuán, Poster
Title:"Ionization Potentials (IPs) and Electron Affinities (EAs) for the DNA/RNA Base Monomers"

Conference:"How Theory Can Change Paradigms: Quantum Chemistry, Conical Intersections, and Photochemistry"
Physik- und Chemiekolloquium, Institut für Chemie - Physikalische und Theoretische Chemie, Freie Universitát Berlin, Germany
Berlin, 8th December, 2005
Participant: Luis Serrano-András, Conference

2004

Course:"Química Teórica y Computacional"
Universitat de Girona, Spain
19th January - 14th February, 2004
National Spanish Ph. D. Program
Webpage of Dr. Miquel Solà
Participant: Luis Serrano-Andrés, Lecturer
Title: "Estudio Teórico de Estados Excitados" (9th-14th February)

Congress: RADAM04, 1st Meeting COST Action P9 on Radiation Damage
Institute National de Physique Nucl�aire et de Physique des Particules
Lyon, France, 24th-27th June, 2004
Webpage
Participant: Luis Serrano-Andrés, Conference
Title: "Ultrafast Internal Conversion Channels in Excited Cytosine"

Congress: III Congreso Ibérico de Espectroscopia
Universidad de Las Palmas
Las Palmas de Gran Canaria, Spain, 4th-9th July, 2004.
Webp age
Participant: Luis Serrano-Andrés, Conference
Title:"Quantum Chemistry of the Excited State: Up-to- Date Panorama"

Congress: VIIIth European Conference on Atomic and Molecular Physics
Universitá de Rennes I
Rennes, France, 6th-10th July, 2004.
Webpage
Participant: Luis Serrano-Andrés, Conference
Title:"Quantum chemistry for the excited state: methods and applications"

Congress: XX IUPAC Symposium on Photochemistry
Universidad de Granada
Granada, Spain, 17th-22nd July, 2004.
Webpage
Participants:

Manuela Merchán, Conference
Title: "Triplet State Formation Along the Ultrafast Decay of Excited Singlet Cytosine"

Luis Serrano-Andrés, Poster
Title: "Photophysics of Thioxanthone"

Teresa Climent

Congress: Molecular Quantum Mechanics: The No Nonsense Path to Progress
Cambridge University
Cambrige, UK, July 24-29 2004.
Participants:

Mercedes Rubio, Poster
Title:"Photophysics of Terthiophene Triplet States"

Luis Serrano-Andrés, Poster
Title:"A Combined Theoretical and Experimental Study of the Photophysics of Asumlam"

Congress: XXX Congresso de Químicos Teóricos de Express (QUITEL)
Universidade de Porto
Porto, Portugal,8th-12th September, 2004.
Webpage
Participant: Luis Serrano-Andrés, Conference
Title:"Quantum Chemistry of the Excited State: 2005 Overview"

Working Meeting: 1st Meeting Working Group 4, COST Action P9 on Radiation Damage
Università Libre de Bruxelles
Bruxelles, Belgium, 30th October, 2004
Webpage
Participant: Luis Serrano-Andrés, Conference
Title: "Population of the Triplet State in Singlet Excited Cytosine"

Conference: Department of Physical Chemistry
Universidade da Coruña
A Coruña, Spain,11th December, 2004.
Participant: Luis Serrano-Andrés, Conference
Title:"Theoretical Photophysics and Photochemistry Today"