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