Browse by Title

134 items found

Showing titles from 50 to 75:

  1  2  3  4  5  6   
FormatDateTitleAuthor
FormatDateTitleAuthor
doc icon DUGiDocs Electronic structure investigation and parametrization of biologically relevant iron-sulfur clusters Carvalho, Alexandra T.P. ; Swart, Marcel
out url icon DUGiDocs 2023 March 13 Elucidating the role of conformational dynamics of Aspergillus niger Monoamine oxidase towards enzymatic chiral amines synthesis Curado Carballada, Christian
out url icon Recercat Energetics of charges in organic semiconductors and at organic donor-acceptor interfaces Gorczak, Natalie ; Swart, Marcel ; Grozema, Ferdinand C.
out url icon Recercat Energetics of charges in organic semiconductors and at organic donor-acceptor interfaces Gorczak, Natalie ; Swart, Marcel ; Grozema, Ferdinand C.
doc icon DUGiDocs 2014 May 7 Energetics of charges in organic semiconductors and at organic donor-acceptor interfaces Gorczak, Natalie ; Swart, Marcel ; Grozema, Ferdinand C.
doc icon DUGiDocs 2021 December 10 Enzymatic and bioinspired iron oxidation chemistry: a computational study D’Amore, Lorenzo
doc icon DUGiDocs 2023 July Estudi de la reactivitat d’una caixa M@C36 reaccions Diels-Alder Romero del Blanco, Daniel
out url icon Recercat The Exohedral Diels–Alder Reactivity of the Titanium Carbide Endohedral Metallofullerene Ti2C2@D3h-C78: Comparison with D3h-C78 and M3N@D3h-C78 (M=Sc and Y) Reactivity Garcia Borràs, Marc ; Osuna Oliveras, Sílvia ; Luis Luis, Josep Maria ; Swart, Marcel ; Solà i Puig, Miquel
doc icon DUGiDocs 2012 The Exohedral Diels–Alder Reactivity of the Titanium Carbide Endohedral Metallofullerene Ti2C2@D3h-C78: Comparison with D3h-C78 and M3N@D3h-C78 (M=Sc and Y) Reactivity Garcia Borràs, Marc ; Osuna Oliveras, Sílvia ; Luis Luis, Josep Maria ; Swart, Marcel ; Solà i Puig, Miquel
out url icon Recercat Experimental and theoretical investigation of octahedral and square-planar isothiocyanato complexes of Ni(II) with acylhydrazones of 2-(diphenylphosphino) benzaldehyde Čobeljić, Božidar ; Pevec, Andrej ; Stepanović, Stepan ; Spasojević, Vojislav ; Milenković, Milica ; Turel, Iztok ; Swart, Marcel ; Gruden-Pavlović, Maja ; Adaila, Kawther ; Anelković, Katarina
doc icon DUGiDocs 2015 Experimental and theoretical investigation of octahedral and square-planar isothiocyanato complexes of Ni(II) with acylhydrazones of 2-(diphenylphosphino) benzaldehyde Čobeljić, Božidar ; Pevec, Andrej ; Stepanović, Stepan ; Spasojević, Vojislav ; Milenković, Milica ; Turel, Iztok ; Swart, Marcel ; Gruden-Pavlović, Maja ; Adaila, Kawther ; Andjelković, Katarina
out url icon Recercat Exploring the potential energy surface of E2P4 clusters (E=Group 13 element): The quest for inverse carbon-free sandwiches Castro Aguilera, Abril Carolina ; Osorio, Edison ; Cabellos, José Luis ; Cerpa, Erick ; Matito i Gras, Eduard ; Solà i Puig, Miquel ; Swart, Marcel ; Merino, Gabriel
doc icon DUGiDocs 2014 Exploring the potential energy surface of E2P4 clusters (E=Group 13 element): The quest for inverse carbon-free sandwiches Castro Aguilera, Abril Carolina ; Osorio, Edison ; Cabellos, José Luis ; Cerpa, Erick ; Matito i Gras, Eduard ; Solà i Puig, Miquel ; Swart, Marcel ; Merino, Gabriel
out url icon Recercat The Frozen Cage Model: A Computationally Low-Cost Tool for Predicting the Exohedral Regioselectivity of Cycloaddition Reactions Involving Endohedral Metallofullerenes Garcia Borràs, Marc ; Romero Rivera, Adrián ; Osuna Oliveras, Sílvia ; Luis Luis, Josep Maria ; Swart, Marcel ; Solà i Puig, Miquel
doc icon DUGiDocs 2012 The Frozen Cage Model: A Computationally Low-Cost Tool for Predicting the Exohedral Regioselectivity of Cycloaddition Reactions Involving Endohedral Metallofullerenes Garcia Borràs, Marc ; Romero Rivera, Adrián ; Osuna Oliveras, Sílvia ; Luis Luis, Josep Maria ; Swart, Marcel ; Solà i Puig, Miquel
out url icon Recercat Full Exploration of the Diels–Alder Cycloaddition on Metallofullerenes M3N@C80 (M=Sc, Lu, Gd): The D5h versus Ih Isomer and the Influence of the Metal Cluster Osuna Oliveras, Sílvia ; Valencia, Ramón ; Rodríguez Fortea, Antonio ; Swart, Marcel ; Solà i Puig, Miquel ; Poblet, Josep M.
out url icon Recercat Full Exploration of the Diels–Alder Cycloaddition on Metallofullerenes M3N@C80 (M=Sc, Lu, Gd): The D5h versus Ih Isomer and the Influence of the Metal Cluster Osuna Oliveras, Sílvia ; Valencia, Ramon ; Rodríguez Fortea, Antonio ; Swart, Marcel ; Solà i Puig, Miquel ; Poblet, Josep M.
doc icon DUGiDocs 2012 Full Exploration of the Diels–Alder Cycloaddition on Metallofullerenes M3N@C80 (M=Sc, Lu, Gd): The D5h versus Ih Isomer and the Influence of the Metal Cluster Osuna Oliveras, Sílvia ; Valencia, Ramon ; Rodríguez Fortea, Antonio ; Swart, Marcel ; Solà i Puig, Miquel ; Poblet, Josep M.
out url icon Recercat Indenyl effect due to metal slippage? Computational exploration of rhodium-catalyzed acetylene [2+2+2] cyclotrimerization Orian, Laura ; Swart, Marcel ; Bickelhaupt, F. Matthias
doc icon DUGiDocs 2014 Indenyl effect due to metal slippage? Computational exploration of rhodium-catalyzed acetylene [2+2+2] cyclotrimerization Orian, Laura ; Swart, Marcel ; Bickelhaupt, F. Matthias
out url icon Recercat The influence of substituents and the environment on the NMR shielding constants of supramolecular complexes based on A-T and A-U base pairs Castro Aguilera, Abril Carolina ; Swart, Marcel ; Guerra, CĂ©lia Fonseca
out url icon Recercat The influence of substituents and the environment on the NMR shielding constants of supramolecular complexes based on A-T and A-U base pairs Castro Aguilera, Abril Carolina ; Swart, Marcel ; Guerra, CĂ©lia Fonseca
doc icon DUGiDocs 2017 January 1 The influence of substituents and the environment on the NMR shielding constants of supramolecular complexes based on A-T and A-U base pairs Castro Aguilera, Abril Carolina ; Swart, Marcel ; Guerra, CĂ©lia Fonseca
out url icon Recercat Intramolecular halogen-halogen bonds? Johansson, Mikael P. ; Swart, Marcel
out url icon Recercat Intramolecular halogen-halogen bonds? Johansson, Mikael P. ; Swart, Marcel
  1  2  3  4  5  6   

Subjects

Authors