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Llistant ítems des de 75 a 100:

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doc icon DUGiDocs 2013 Intramolecular halogen-halogen bonds? Johansson, Mikael P. ; Swart, Marcel
doc icon DUGiDocs 9 maig 2019 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 Borràs, Marc ; Osuna Oliveras, Sílvia ; Swart, Marcel ; Luis Luis, Josep Maria ; Solà i Puig, Miquel
doc icon DUGiDocs 2013 Maximum aromaticity as a guiding principle for the most suitable hosting cages in endohedral metallofullerenes Garcia Borràs, Marc ; Osuna Oliveras, Sílvia ; Swart, Marcel ; Luis Luis, Josep Maria ; Solà 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 5 juny 2018 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 15 febrer 2020 Microscopic and macroscopic polarization within a combined quantum mechanics and molecular mechanics model Jensen, L. ; Swart, Marcel ; Duijnen, Petrus Theodorus van‏
doc icon DUGiDocs 18 octubre 2021 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 19 setembre 2023 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 ; Solà 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 ; Solà i Puig, Miquel ; Bickelhaupt, F. Matthias
out url icon Recercat 5 juny 2018 A new all-round density functional based on spin states and SN2 barriers Swart, Marcel ; Solà i Puig, Miquel ; Bickelhaupt, F. Matthias
out url icon Recercat 15 febrer 2020 A new all-round density functional based on spin states and SN2 barriers Swart, Marcel ; Solà 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 ; Solà 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 7 gener 2015 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 11 setembre 2014 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, Sílvia ; Swart, Marcel ; Solà i Puig, Miquel
doc icon DUGiDocs 2011 The reactivity of endohedral fullerenes: What can be learnt from computational studies? Osuna Oliveras, Sílvia ; Swart, Marcel ; Solà i Puig, Miquel
doc icon DUGiDocs 12 octubre 2016 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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