Title: QBtopIC on spin states Event: QBIC online series of QBtopICs (Session leader) Date: 24/02/2021 Place: Darmstadt, ALEMANYA Title: ECOSTBio (CM1305): best practices Event: COST Action Chairs Forum (Invited Speaker) Date: 18/02/2021 Place: Brussels, BÈLGICA Title: Multi-level QM/MM and QM/QM approaches Event: AMS Workshop SurfSara (Invited Speaker) Date: 10/02/2021 Place: Amsterdam, PAÏSOS BAIXOS Title: The inner side of nanomaterials: from chemical bonds to growth of nanotubes Event: Materials Science Dept (Prof. Grobert), Univ. Oxford (Invited Speaker) Date: 15/10/2020 Place: Oxford, REGNE UNIT Title: Two sides of the same story: time-resolved spectroscopy and theory applied to the activation of [Fe(II)(N4Py)]2+ Event: Chemistry Dept (Prof. Meijer), Univ. Sheffield (Invited Speaker) Date: 22/05/2020 Place: Sheffield, REGNE UNIT Title: Two sides of the same story: time-resolved spectroscopy and theory applied to the activation of [Fe(II)(N4Py)]2+ Event: Chem Dept. (Prof. Escudero), Univ. Leuven (Invited Speaker) Date: 05/11/2019 Place: Leuven, BÈLGICA Title: Characterization and prediction of short-lived transition-metal species Event: Chem Dept. (Prof. McKenzie), SD Univ. Odense (Invited Speaker) Date: 14/01/2019 Place: Odense, DINAMARCA Title: Reactive high-valent transition-metal complexes Event: Chem. Dept. (Prof. de Bruin), UvA Amsterdam (Invited speaker) Date: 09/11/2018 Place: Amsterdam, PAÏSOS BAIXOS Title: Characterization of reactive high-valent transition-metal complexes Event: Max Planck Institute (Prof. Alavi) Stuttgart (Invited speaker) Date: 20/02/2018 Place: Stuttgart, ALEMANYA Title: Characterization of reactive high-valent transition-metal complexes Event: 'Frontiers in Chemistry' Seminar (Prof. Orian), Univ. Padova (Invited speaker) Date: 24/01/2018 Place: Padova, ITÀLIA Title: Transition-metal chemistry: a new spin Event: Visit to Bickelhaupt Lab (VU Univ. Amsterdam, NL) (Invited speaker) Date: 10/03/2017 Place: Amsterdam, PAÏSOS BAIXOS Title: Transition-metal chemistry: a new spin Event: Visit to Belanzoni Lab (Univ. Perugia, IT) (Invited speaker) Date: 14/02/2017 Place: Perugia, ITÀLIA Title: Accelerated spinning around in (bio)chemistry Event: Life Sciences Seminar, Barcelona Supercomputing Center (Invited speaker) Date: 19/12/2016 Place: Barcelona, ESPANYA Title: Spinning around in transition-metal chemistry Event: Visit to Center for Biomimetic Systems (Prof. Wonwoo Nam) (Invited speaker) Date: 31/10/2016 Place: Seoul, REPÚBLICA DE COREA Title: Spinning around in transition-metal chemistry Event: Visit to KTH Royal Institute of Technology, Theor. Chem. (Ahlquist) (Invited speaker) Date: 22/06/2016 Place: Stockholm, SUÈCIA Title: Catalase activity of MnIII complexes Event: Invited seminar at Bickelhaupt Lab (VU Univ. Amsterdam) Date: 12/05/2015 Place: Amsterdam, PAÏSOS BAIXOS Title: Catalase activity of MnIII complexes Event: Invited seminar at Browne Lab (Univ. Groningen) Date: 11/05/2015 Place: Groningen, PAÏSOS BAIXOS Title: Molecular modeling of biological and chemical processes Event: Invited seminar at Dept. Chemical Engineering (TU Delft) Date: 23/02/2015 Place: Delft, PAÏSOS BAIXOS Title: Spin states of transition-metal complexes: A challenge Event: Invited seminar and Research visit Lynn Kamerlin group, University of Uppsala Date: 07/11/2013 Place: Uppsala, SUÈCIA Title: Spin states of transition-metal complexes: A challenge Event: Invited speaker at Autumn seminar series, University College Dublin (Grace Morgan group) Date: 23/10/2013 Place: Dublin, IRLANDA Title: A new family of hybrid functionals Event: Invited seminar at University of Belgrade, Gruden-Pavlovic group Date: 11/04/2013 Place: Belgrade, SÈRBIA Title: Spin states of (bio)inorganic systems: successes and pitfalls Event: Invited seminar at group of Prof. Kaupp (TU Berlin) http://www.quantenchemie.tu-berlin.de Date: 08/03/2013 Place: Berlin, ALEMANYA Title: Chemical reactivity of Endohedral Fullerenes Event: Invited speaker at ICIQ Date: 19/10/2012 Place: Tarragona, ESPANYA Title: Chemical reactivity of Endohedral Fullerenes Event: Invited speaker at IQTCUB Date: 17/10/2012 Place: Barcelona, ESPANYA Title: Modeling of biological and chemical processes Event: Invited seminar at University of Belgrade, Gruden-Pavlovic group Date: 25/05/2012 Place: Belgrade, SÈRBIA Title: Improved density functional for biological applications (SSB-D) Event: Seminar (invited speaker) at CTCC (Abhik Ghosh) Date: 14/03/2011 Place: Trømso, NORUEGA Title: Improved density functional for biological applications (SSB-D) Event: Conferencia invitada Date: 24/02/2011 Place: Groningen, PAÏSOS BAIXOS Title: (revised) SSB-D: A new functional for biological applications, LifeSciences Seminar at Barcelona Supercomputing Center (Life Sciences) Event: Conferencia invitada Date: 14/05/2010 Place: Barcelona, ESPANYA Title: Molecular Modeling and quantum Mechanical Methodology (M4) research group Event: Seminar at 'Primera jornada de la recerca dels departaments de Física i Química de la UdG' Date: 30/04/2009 Place: Girona, ESPANYA Title: Diels-Alder reactivity of the endohedral fullerenes X3N@C78 (X=Sc,Y) compared to free C78: The encapsulation effect and the fullerene strain energy Event: Seminar (invited speaker) Theoretical Chemistry group, Vrije Universiteit Amsterdam Date: 09/12/2008 Place: Amsterdam, PAÏSOS BAIXOS Title: Improved geometry optimization techniques for the study of metal-ligand bonding in metallocenes Event: Seminar (invited speaker) at Theoretical Chemistry group, Vrije Universiteit Amsterdam Date: 20/12/2006 Place: Amsterdam, PAÏSOS BAIXOS Title: Improved geometry optimization techniques for the study of metal-ligand bonding in metallocenes Event: Seminar Institut de Química Computacional, Universitat de Girona Date: 26/10/2006 Place: Girona, ESPANYA Title: Applications of ADF: NMR of DNA, accuracy of geometries, polarizabilities, solvent effects Event: Seminar (invited speaker) at University of Philadelphia Date: 02/09/2005 Place: Philadelphia, ESTATS UNITS D'AMÈRICA Title: Applications of ADF: NMR of DNA, accuracy of geometries, polarizabilities, solvent effects Event: Seminar (invited speaker) at ADF Workshop, 230th ACS meeting Date: 30/08/2005 Place: Washington DC, ESTATS UNITS D'AMÈRICA Title: NMR and H-bonding of DNA vs. RNA and Spin ground states of iron complexes Event: Seminar (invited speaker) at Theoretical Chemistry group, University of Leiden Date: 11/05/2005 Place: Leiden, PAÏSOS BAIXOS Title: Bimolecular nucleophilic substitution (SN2): from methyl-halides to DNA replication Event: Seminar Institut de Química Computacional, Universitat de Girona Date: 27/01/2005 Place: Girona, ESPANYA Title: Spin ground states of iron complexes and Does NMR probe the hydrogen bond strength of DNA/RNA ? Event: Seminar (invited speaker) at Institut de Química Computacional, Universitat de Girona Date: 30/09/2004 Place: Girona, ESPANYA Title: Spin ground states of iron complexes and Does NMR probe the hydrogen bond strength of DNA/RNA ? Event: Seminar Theoretical Chemistry group, Vrije Universiteit Amsterdam Date: 08/09/2004 Place: Amsterdam, PAÏSOS BAIXOS Title: A QM/MM study on the catalytic cycle of cytochrome P450: The importance of selecting an appropriate Density Functional Theory functional Event: Seminar Organic Chemistry group, Vrije Universiteit Amsterdam Date: 13/04/2004 Place: Amsterdam, PAÏSOS BAIXOS Title: Density Functional Theory applied to iron complexes and proteins Event: Seminar (invited speaker) at Scripps Institute, visit to group of prof. L. Noodleman Date: 02/04/2004 Place: La Jolla, ESTATS UNITS D'AMÈRICA Title: The art of QM/MM. Implementation and applications Event: Seminar series (invited speaker) in a tour around Japan Date: 24/05/2003 Place: Tokyo-Yokohama-Sendai, JAPÓ Title: The art of QM/MM. Implementation and applications Event: Seminar at Institut de Química Computacional, Universitat de Girona Date: 08/05/2003 Place: Girona, ESPANYA Title: A QM/MM study on the catalytic cycle of cytochrome P450 Event: Seminar (invited speaker) at University of Auburn, visit to group of prof. M.L. McKee Date: 21/03/2003 Place: Auburn, AL, ESTATS UNITS D'AMÈRICA Title: Reaction mechanisms Event: Seminar Theoretical Chemistry group, Rijksuniversiteit Groningen Date: 17/05/2002 Place: Groningen, PAÏSOS BAIXOS Title: Protein active site geometries obtained by a QM/MM approach. DFT applied to azurin Event: Theoretical Chemistry group, VU University Amsterdam (Invited speaker) Date: 03/12/2001 Place: Amsterdam, PAÏSOS BAIXOS Title: Density Functional Theory results for copper proteins Event: Seminar Theoretical Chemistry group, Rijksuniversiteit Groningen Date: 11/05/2001 Place: Groningen, PAÏSOS BAIXOS