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S'han trobat 778 ítems

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out url icon Recercat 5 juny 2018 Au(III)-aryl intermediates in oxidant-free C-N and C-O cross-coupling catalysis Serra i Parareda, Jordi ; Parella Coll, Teodor ; Ribas Salamaña, Xavi
out url icon Recercat 15 febrer 2020 Au(III)-aryl intermediates in oxidant-free C-N and C-O cross-coupling catalysis Serra Parareda, Jordi ; Parella Coll, Teodor ; Ribas Salamaña, Xavi
doc icon DUGiDocs gener 2017 Au(III)-aryl intermediates in oxidant-free C-N and C-O cross-coupling catalysis Serra Parareda, Jordi ; Parella Coll, Teodor ; Ribas Salamaña, Xavi
doc icon DUGiDocs 2005 Basis set effects on the energy and hardness profiles of the hydrogen fluoride dimer Torrent Sucarrat, Miquel ; Duran i Portas, Miquel ; Luis Luis, Josep Maria ; Solà i Puig, Miquel
out url icon Recercat Basis set effects on the energy and hardness profiles of the hydrogen fluoride dimer Torrent Sucarrat, Miquel ; Duran i Portas, Miquel ; Luis Luis, Josep Maria ; Solà i Puig, Miquel
media icon DUGiMedia 6 juliol 2010 Benchmark full configuration interaction calculations for the ground state of three-electron harmonium atoms Matito i Gras, Eduard
media icon DUGiMedia 6 juliol 2010 Benchmark full configuration interaction calculations on harmonium atoms Cioslowski, Jerzy
doc icon DUGiDocs 13 agost 2024 A benchmark study of dioxygen complexes based on coupled cluster and density functional theory Swart, Marcel ; Reimann, Marc
out url icon Recercat Binding of ion pairs in a thiourea-functionalized self-folding cavitand Lledó Ponsati, Agustí ; Soler Casaponsa, Anna
out url icon Recercat Binding of ion pairs in a thiourea-functionalized self-folding cavitand Lledó Ponsati, Agustí ; Soler Casaponsa, Anna
out url icon Recercat 1 juny 2018 Binding of ion pairs in a thiourea-functionalized self-folding cavitand
out url icon Recercat 5 juny 2018 Binding of ion pairs in a thiourea-functionalized self-folding cavitand Lledó Ponsati, Agustí ; Soler Casaponsa, Anna
doc icon DUGiDocs 21 març 2017 Binding of ion pairs in a thiourea-functionalized self-folding cavitand Lledó Ponsati, Agustí ; Soler Casaponsa, Anna
doc icon DUGiDocs 16 maig 2022 Bioinspired ligands and model substrates for the mechanistic elucidation of oxygen activation and cross-coupling reactions mediated by first-row transition metals Magallón Gubau, Carla
out url icon Recercat Biologically Inspired C−H and C=C Oxidations with Hydrogen Peroxide Catalyzed by Iron Coordination Complexes Olivo, Giorgio ; Cussó Forest, Olaf ; Costas Salgueiro, Miquel
doc icon DUGiDocs 22 novembre 2016 Biologically Inspired C−H and C=C Oxidations with Hydrogen Peroxide Catalyzed by Iron Coordination Complexes Olivo, Giorgio ; Cussó Forest, Olaf ; Costas Salgueiro, Miquel
out url icon Recercat Bis-1,3-dipolar Cycloadditions on Endohedral Fullerenes M3N@Ih‑C80 (M = Sc, Lu): Remarkable Endohedral-Cluster Regiochemical Control Cerón, Maira R. ; Izquierdo, Marta ; Garcia Borràs, Marc ; Lee, Sarah S. ; Osuna Oliveras, Sílvia ; Echegoyen, Luis A.
doc icon DUGiDocs 16 setembre 2015 Bis-1,3-dipolar Cycloadditions on Endohedral Fullerenes M3N@Ih‑C80 (M = Sc, Lu): Remarkable Endohedral-Cluster Regiochemical Control Cerón, Maira R. ; Izquierdo, Marta ; Garcia Borràs, Marc ; Lee, Sarah S. ; Osuna Oliveras, Sílvia ; Echegoyen, Luis A.
out url icon Recercat Bonding description of the Harpoon mechanism Rodríguez Mayorga, Mauricio ; Ramos-Cordoba, Eloy ; Salvador Sedano, Pedro ; Solà i Puig, Miquel ; Matito i Gras, Eduard
out url icon Recercat 15 febrer 2020 Bonding description of the Harpoon mechanism Rodríguez Mayorga, Mauricio ; Ramos-Cordoba, Eloy ; Salvador Sedano, Pedro ; Solà i Puig, Miquel ; Matito i Gras, Eduard
doc icon DUGiDocs 17 abril 2016 Bonding description of the Harpoon mechanism Rodríguez Mayorga, Mauricio ; Ramos Cordoba, Eloy ; Salvador Sedano, Pedro ; Solà i Puig, Miquel ; Matito i Gras, Eduard
out url icon Recercat Bonding quandary in the [Cu3S2]3+ core: Insights from the analysis of domain averaged fermi holes and the local spin Ponec, Robert ; Ramos-Cordoba, Eloy ; Salvador Sedano, Pedro
doc icon DUGiDocs 7 març 2013 Bonding quandary in the [Cu3S2]3+ core: Insights from the analysis of domain averaged fermi holes and the local spin Ponec, Robert ; Ramos Cordoba, Eloy ; Salvador Sedano, Pedro
out url icon Recercat A bottom up approach towards artificial oxygenases by combining iron coordination complexes and peptides Cussó Forest, Olaf ; Giuliano, Michael W. ; Ribas Salamaña, Xavi ; Miller, Scott J. ; Costas Salgueiro, Miquel
out url icon Recercat A bottom up approach towards artificial oxygenases by combining iron coordination complexes and peptides Cussó Forest, Olaf ; Giuliano, Michael W. ; Ribas Salamaña, Xavi ; Miller, Scott J. ; Costas Salgueiro, Miquel
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