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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.
doc icon DUGiDocs 2012 Regioselectividad en fullerenos, una visión computacional Swart, Marcel ; Osuna Oliveras, Sílvia ; Garcia Borràs, Marc ; Luis Luis, Josep Maria ; Solà i Puig, Miquel
out url icon Recercat Regioselectividad en fullerenos, una visión computacional Swart, Marcel ; Osuna Oliveras, Sílvia ; Garcia Borràs, Marc ; Luis Luis, Josep Maria ; Solà i Puig, Miquel
media icon DUGiMedia 5 juliol 2010 (Revised) SSB-D: A new functional for biological applications Swart, Marcel
out url icon Recercat The role of aromaticity in determining the molecular structure and reactivity of (endohedral metallo)fullerenes Garcia Borràs, Marc ; Osuna Oliveras, Sílvia ; Luis Luis, Josep Maria ; Swart, Marcel ; Solà i Puig, Miquel
out url icon Recercat The role of aromaticity in determining the molecular structure and reactivity of (endohedral metallo)fullerenes Garcia Borràs, Marc ; Osuna Oliveras, Sílvia ; Luis Luis, Josep Maria ; Swart, Marcel ; Solà i Puig, Miquel
doc icon DUGiDocs 2014 The role of aromaticity in determining the molecular structure and reactivity of (endohedral metallo)fullerenes Garcia Borràs, Marc ; Osuna Oliveras, Sílvia ; Luis Luis, Josep Maria ; Swart, Marcel ; Solà i Puig, Miquel
out url icon Recercat Role of spin state and ligand charge in coordination patterns in complexes of 2,6-diacetylpyridinebis(semioxamazide) with 3d-block metal ions: A density functional theory study Stepanović, Stepan ; Andjelković, Ljubica ; Zlatar, Matija ; Andjelković, Katarina ; Gruden-Pavlović, Maja ; Swart, Marcel
doc icon DUGiDocs 2013 Role of spin state and ligand charge in coordination patterns in complexes of 2,6-diacetylpyridinebis(semioxamazide) with 3d-block metal ions: A density functional theory study Stepanović, Stepan ; Andjelković, Ljubica ; Zlatar, Matija ; Andjelković, Katarina ; Gruden-Pavlović, Maja ; Swart, Marcel
out url icon Recercat The role of spin states in the catalytic mechanism of the intra- and extradiol cleavage of catechols by O2 Stepanović, Stepan ; Angelone, Davide ; Gruden-Pavlović, Maja ; Swart, Marcel
out url icon Recercat 5 juny 2018 The role of spin states in the catalytic mechanism of the intra- and extradiol cleavage of catechols by O2 Stepanović, Stepan ; Angelone, Davide ; Gruden-Pavlović, Maja ; Swart, Marcel
doc icon DUGiDocs 1 gener 2017 The role of spin states in the catalytic mechanism of the intra- and extradiol cleavage of catechols by O2 Stepanović, Stepan ; Angelone, Davide ; Gruden-Pavlović, Maja ; Swart, Marcel
out url icon Recercat Self-Assembled Tetragonal Prismatic Molecular Cage Highly Selective for Anionic π Guests García Simón, Cristina ; Garcia Borràs, Marc ; Gómez Martín, Laura ; Garcia Bosch, Isaac ; Osuna Oliveras, Sílvia ; Swart, Marcel ; Luis Luis, Josep Maria ; Rovira, Concepció ; Almeida, Manuel ; Imaz, Inhar ; Maspoch, Daniel ; Costas Salgueiro, Miquel ; Ribas Salamaña, Xavi
doc icon DUGiDocs 2013 Self-Assembled Tetragonal Prismatic Molecular Cage Highly Selective for Anionic π Guests García Simón, Cristina ; Garcia Borràs, Marc ; Gómez Martín, Laura ; Garcia Bosch, Isaac ; Osuna Oliveras, Sílvia ; Swart, Marcel ; Luis Luis, Josep Maria ; Rovira, Concepció ; Almeida, Manuel ; Imaz, Inhar ; Maspoch, Daniel ; Costas Salgueiro, Miquel ; Ribas Salamaña, Xavi
media icon DUGiMedia 8 novembre 2024 Seminari d’Open Science: sharing is caring Swart, Marcel
out url icon Recercat Solvent effects on hydrogen bonds in Watson-Crick, mismatched, and modified DNA base pairs Poater i Teixidor, Jordi ; Swart, Marcel ; Fonseca Guerra, Célia ; Bickelhaupt, F. Matthias
doc icon DUGiDocs 2012 Solvent effects on hydrogen bonds in Watson-Crick, mismatched, and modified DNA base pairs Poater i Teixidor, Jordi ; Swart, Marcel ; Fonseca Guerra, Célia ; Bickelhaupt, F. Matthias
out url icon Recercat Spinning around in Transition-Metal Chemistry Swart, Marcel ; Gruden-Pavlović, Maja
out url icon Recercat Spinning around in Transition-Metal Chemistry Swart, Marcel ; Gruden-Pavlović, Maja
out url icon Recercat 5 juny 2018 Spinning around in Transition-Metal Chemistry Swart, Marcel ; Gruden-Pavlović, Maja
doc icon DUGiDocs 14 novembre 2016 Spinning around in Transition-Metal Chemistry Swart, Marcel ; Gruden-Pavlović, Maja
out url icon Recercat Spin states of (bio)inorganic systems: successes and pitfalls Swart, Marcel
doc icon DUGiDocs 2013 Spin states of (bio)inorganic systems: successes and pitfalls Swart, Marcel
out url icon Recercat Synthesis, characterization, DFT calculations and biological activity of derivatives of 3-acetylpyridine and the zinc(II) complex with the condensation product of 3-acetylpyridine and semicarbazide Čobeljić, Božidar ; Pevec, Andrej ; Turel, Iztok ; Swart, Marcel ; Mitić, Dragana ; Milenković, Marina ; Marković, Ivanka ; Jovanović, Maja ; Sladić, Dušan ; Jeremić, Marko ; Andelković, Katarina
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