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FormatDateTitleAuthor
FormatDateTitleAuthor
doc icon DUGiDocs 2013 Intramolecular halogen-halogen bonds? Johansson, Mikael P. ; Swart, Marcel
doc icon DUGiDocs 2019 May 9 Laudatio de l’acte d’atorgament del títol de Doctor Honoris causa de la Universitat de Girona a Evert Jan Baerends Solà i Puig, Miquel ; Swart, Marcel
out url icon Recercat Maximum aromaticity as a guiding principle for the most suitable hosting cages in endohedral metallofullerenes Garcia BorrĂ s, Marc ; Osuna Oliveras, SĂ­lvia ; Swart, Marcel ; Luis Luis, Josep Maria ; SolĂ  i Puig, Miquel
doc icon DUGiDocs 2013 Maximum aromaticity as a guiding principle for the most suitable hosting cages in endohedral metallofullerenes Garcia BorrĂ s, Marc ; Osuna Oliveras, SĂ­lvia ; Swart, Marcel ; Luis Luis, Josep Maria ; SolĂ  i Puig, Miquel
out url icon Recercat Microscopic and macroscopic polarization within a combined quantum mechanics and molecular mechanics model Jensen, L. ; Swart, Marcel ; Van Duijnen, Piet th.
doc icon DUGiDocs 2005 Microscopic and macroscopic polarization within a combined quantum mechanics and molecular mechanics model Jensen, L. ; Swart, Marcel ; Duijnen, Petrus Theodorus van‏
out url icon Recercat 2018 June 5 Microscopic and macroscopic polarization within a combined quantum mechanics and molecular mechanics model Jensen, L. ; Swart, Marcel ; Duijnen, Petrus Theodorus van‏
out url icon Recercat 2020 February 15 Microscopic and macroscopic polarization within a combined quantum mechanics and molecular mechanics model Jensen, L. ; Swart, Marcel ; Duijnen, Petrus Theodorus van‏
doc icon DUGiDocs 2021 October 18 Modulation of a μ-1,2-Peroxo Dicopper(II) Intermediate by Strong Interaction with Alkali Metal Ions Brinkmeier, Alexander ; Dalle, Kristian E. ; D’Amore, Lorenzo ; Schulz, Roland A. ; Dechert, Sebastian ; Demeshko, Serhiy ; Swart, Marcel ; Meyer, Franc
out url icon DUGiDocs 2023 September 19 Multiscalar strategies for the characterization of engineered P450 enzymes Soler i Parpal, Jordi
out url icon Recercat A new all-round density functional based on spin states and SN2 barriers Swart, Marcel ; SolĂ  i Puig, Miquel ; Bickelhaupt, F. Matthias
out url icon Recercat A new all-round density functional based on spin states and SN2 barriers Swart, Marcel ; SolĂ  i Puig, Miquel ; Bickelhaupt, F. Matthias
out url icon Recercat 2018 June 5 A new all-round density functional based on spin states and SN2 barriers Swart, Marcel ; SolĂ  i Puig, Miquel ; Bickelhaupt, F. Matthias
out url icon Recercat 2020 February 15 A new all-round density functional based on spin states and SN2 barriers Swart, Marcel ; SolĂ  i Puig, Miquel ; Bickelhaupt, F. Matthias
doc icon DUGiDocs 2009 A new all-round density functional based on spin states and SN2 barriers Swart, Marcel ; SolĂ  i Puig, Miquel ; Bickelhaupt, F. Matthias
out url icon Recercat A new family of hybrid density functionals Swart, Marcel
doc icon DUGiDocs 2013 A new family of hybrid density functionals Swart, Marcel
out url icon Recercat Rapid determination of polarizability exaltation in fullerene-based nanostructures Swart, Marcel ; Van Duijnen, Piet th.
doc icon DUGiDocs 2015 January 7 Rapid determination of polarizability exaltation in fullerene-based nanostructures Swart, Marcel ; Duijnen, Petrus Theodorus van‏
out url icon Recercat Reaction mechanisms for the formation of mono-and dipropylene glycol from the propylene oxide hydrolysis over ZSM-5 zeolite Horbatenko, Yevhen ; Pérez, Juan Pedro ; Hernández, Pedro ; Swart, Marcel ; Solà i Puig, Miquel
doc icon DUGiDocs 2014 September 11 Reaction mechanisms for the formation of mono-and dipropylene glycol from the propylene oxide hydrolysis over ZSM-5 zeolite Horbatenko, Yevhen ; Pérez, Juan Pedro ; Hernández, Pedro ; Swart, Marcel ; Solà i Puig, Miquel
out url icon Recercat The reactivity of endohedral fullerenes: What can be learnt from computational studies? Osuna Oliveras, SĂ­lvia ; Swart, Marcel ; SolĂ  i Puig, Miquel
doc icon DUGiDocs 2011 The reactivity of endohedral fullerenes: What can be learnt from computational studies? Osuna Oliveras, SĂ­lvia ; Swart, Marcel ; SolĂ  i Puig, Miquel
doc icon DUGiDocs 2016 October 12 Reactivity of an FeIV-Oxo Complex with Protons and Oxidants Hill, Ethan A. ; Weitz, Andrew C. ; Onderko, Elizabeth ; Romero Rivera, Adrián ; Guo, Yisong ; Swart, Marcel ; Bominaar, , Emile L. ; Green, Michael T. ; Hendrich, Michael P. ; Lacy, David C. ; Borovik, A. S.
out url icon Recercat Reactivity of an FeIV-Oxo Complex with Protons and Oxidants Hill, Ethan A. ; Weitz, Andrew C. ; Onderko, Elizabeth ; Romero Rivera, Adrián ; Guo, Yisong ; Swart, Marcel ; Bominaar, , Emile L. ; Green, Michael T. ; Hendrich, Michael P. ; Lacy, David C. ; Borovik, A. S.
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