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FormatDateTitleAuthor
FormatDateTitleAuthor
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 2010 July 5 (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 2018 June 5 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 2017 January 1 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
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 2018 June 5 Spinning around in Transition-Metal Chemistry Swart, Marcel ; Gruden-Pavlović, Maja
doc icon DUGiDocs 2016 November 14 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
doc icon DUGiDocs 2013 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 ; Andjelković, Katarina
doc icon TDX 2010 March 26 Theoretical studies of the exohedral reactivity of fullerene compounds Osuna Oliveras, Sílvia
out url icon Recercat Theoretical studies of the exohedral reactivity of fullerene compounds Osuna Oliveras, Sílvia
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