List of QCEXVAL contributions in 2012
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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”
- 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
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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”
- J. Segarra-Martí, D. Roca-Sanjuán, and M. Merchán
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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”
- A. Giussani, L. Serrano-Andrés, M. Merchán, D. Roca-Sanjuán, and M. Garavelli
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Congress: “3rd European Symposium on computing π-conjugated compounds”
2-4 February 2012, Mons, Belgium.
Participants:- A. Giussani, I. González-Ramírez, D. Roca-Sanjuán, M. Merchán, R. Lindh.
Oral Communication:”Understanding the Photophysics of Basic Aromatic Chromophores”
- A. Giussani, I. González-Ramírez, D. Roca-Sanjuán, M. Merchán, R. Lindh.
List of QCEXVAL contributions in 2011
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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”
- D. Roca-Sanjuán
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Congress: “21er 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”
- D. R. Alcoba, A. Chana, J. Z. Dávalos, F. J. González, A. Guerrero, D. J. Klein, M. Merchán, J. M. Oliva, V. Sauri.
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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”
- D. Roca-Sanjuán and M. Merchán
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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”
- T. G. Schmalz, L. Serrano-Andrés, V. Sauri, M. Merchán, and J. M. Oliva
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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”
- 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
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Course: “Gaussian Workshop 2011”
- Universidad de Santiago, Santiago de Compostela, SPAIN, 17th-22nd July 2011
Contributions:- V. Pérez-Mondéjar
- J. Segarra-Martí
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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”
- I. González-Ramírez, D. Roca-Sanjuán, M. Rubio, L. Serrano-Andrés, and M. Merchán
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Congress: “2nd European Symposium on computing π-conjugated compounds”
3-5 February 2011, Limoges, France.
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”
- Daniel Roca-Sanjuán, Conference
List of QCEXVAL contributions in 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”
- Luis Serrano-Andrés, Conference
- 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”
- Luis Serrano-Andrés, Conference
- 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“
- I. González-Ramírez, D. Roca-Sanjuán, M. Rubio, M. Merchán, and L. Serrano-Andrés
- 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”
- Juan José Serrano-Pérez, Conference
List of QCEXVAL contributions in 2009
- Course:“Máster en Química Teórica y Modelización Computacional”
Universidad de Vigo, Vigo, Spain
First Courses Session within the European Master in Theoretical Chemistry and Computational Modelling
19th January – 14th February, 2009
Participant: Luis Serrano-Andrés, Lecturer
Title: “Theoretical Studies of Excited States” (9th-14th February) - Conference:“Molecular Basis of Photobiology in the Light of Quantum Chemistry: From DNA Photochemistry to Phototherapy with Psoralens
Instituto “Rocasolano” de Química Física, CSIC, Madrid, Spain
Madrid, 29th January, 2009
Participant: Luis Serrano-Andrés, Conference - Course:“Química Cuántica”
Universitat de València, Spain
February – May, 2009
Participant: Manuela Merchán, Lecturer - Conference:“Molecular Basis of Photobiology in the Light of Quantum Chemistry: From DNA Photochemistry to Phototherapy with Psoralens”
Instituto de Química Computacional, Universitat de Girona, Spain
Girona, 2nd April, 2009
Participant: Luis Serrano-Andrés, Conference - Conference:“Quantum Chemistry of the Excited State: from Molecular Photobiology to Molecular Photomaterials”
European Spring School 2009, Supramolecular Organized Nanostructured Materials for Optoelectronic Applications
ICMOL WorkShop on Molecular Materials
Peñíscola, Spain, 24th April, 2009
Participant: Luis Serrano-Andrés, Conference
- 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
- Luis Serrano-Andrés, 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:””
- Luis Serrano-Andrés, Invited Conference
- Congress: “IX Congreso Nacional de Fotoquímica
Universidad del País Vasco, Bilbao, 20th-23rd September, 2009
Participants:- Luis Serrano-Andrés, Invited Conference
Title:””
- Luis Serrano-Andrés, Invited Conference
List of QCEXVAL contributions in 2008
- Course:“Máster en Química Teórica y Modelización Computacional”
Universidad de Murcia, Murcia, Spain
First Courses Session within the European Master in Theoretical Chemistry and Computational Modelling
21th January – 16th February, 2008
Participant: Luis Serrano-Andrés, Lecturer
Title: “Estudio Teórico de Estados Excitados” (11th-16th February) - Conference:“Quantum-Chemical Methods and Strategies in Modern Photochemistry:
Photostability and Photoreactivity of Nucleic Acid Monomers and Dimers”
Department of Quantum Chemistry, Universitet Uppsala, Sweden
Uppsala, 18th March, 2008
Participant: Luis Serrano-Andrés, Conference
- 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
- Juan José Serrano-Pérez, Conference
- 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
List of QCEXVAL contributions in 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
- Luis Serrano-Andrés, Conference and Posters
- 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
- Luis Serrano-Andrés, Conference
List of QCEXVAL contributions in 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”
- Gloria Olaso-González, Poster
- 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
List of QCEXVAL contributions in 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
- Juan José Serrano-Pérez, Conference
- 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 Merchán, 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
- Manuela Merchán, 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
- Manuela Merchán, Conference
- 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
List of QCEXVAL contributions in 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
- Manuela Merchán, Conference
- 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”
- Mercedes Rubio, Poster
- 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”