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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
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 BorrĂ s, Marc ; Romero Rivera, AdriĂĄn ; Osuna Oliveras, SĂ­lvia ; Luis Luis, Josep Maria ; Swart, Marcel ; SolĂ  i Puig, Miquel
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 BorrĂ s, Marc ; Romero Rivera, AdriĂĄn ; Osuna Oliveras, SĂ­lvia ; Luis Luis, Josep Maria ; Swart, Marcel ; SolĂ  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 Intramolecular hydrogen bonding stabilizes the nuclearity of complexes. A comparative study based on the H-carborane and Me-carborane framework Fontanet, MĂČnica ; RodrĂ­guez Pizarro, Montserrat ; Fontrodona, Xavier ; Romero GarcĂ­a, Isabel ; Viñas, Clara ; Teixidor, Francesc
doc icon DUGiDocs 2015 Intramolecular hydrogen bonding stabilizes the nuclearity of complexes. A comparative study based on the H-carborane and Me-carborane framework Fontanet, MĂČnica ; RodrĂ­guez Pizarro, Montserrat ; Fontrodona, Xavier ; Romero GarcĂ­a, Isabel ; Viñas, Clara ; Teixidor BombardĂł, Francesc
out url icon Recercat Isolation of Key Organometallic Aryl-Co(III) Intermediates in Cobalt- Catalyzed C(sp2)−H Functionalizations and New Insights into Alkyne Annulation Reaction Mechanisms Planas FĂ brega, Oriol ; Whiteoak, Christopher J. ; Martin- Diaconescu, Vlad ; Gamba, Ilaria ; Luis Luis, Josep Maria ; Parella Coll, Teodor ; Company Casadevall, Anna ; Ribas Salamaña, Xavi
doc icon DUGiDocs 2016 October 10 Isolation of Key Organometallic Aryl-Co(III) Intermediates in Cobalt- Catalyzed C(sp2)−H Functionalizations and New Insights into Alkyne Annulation Reaction Mechanisms Planas FĂ brega, Oriol ; Whiteoak, Christopher J. ; Martin-Diaconescu, Vlad ; Gamba, Ilaria ; Luis Luis, Josep Maria ; Parella Coll, Teodor ; Company Casadevall, Anna ; Ribas Salamaña, Xavi
out url icon Recercat The key role of aromaticity in the structure and reactivity of C60 and endohedral metallofullerenes Garcia BorrĂ s, Marc ; Luis Luis, Josep Maria ; SolĂ  i Puig, Miquel ; Osuna Oliveras, SĂ­lvia
doc icon DUGiDocs 2017 November 1 The key role of aromaticity in the structure and reactivity of C60 and endohedral metallofullerenes Garcia BorrĂ s, Marc ; Luis Luis, Josep Maria ; SolĂ  i Puig, Miquel ; Osuna Oliveras, SĂ­lvia
out url icon Recercat 2018 June 1 The key role of aromaticity in the structure and reactivity of C60 and endohedral metallofullerenes
out url icon Recercat 2018 June 5 The key role of aromaticity in the structure and reactivity of C60 and endohedral metallofullerenes Garcia BorrĂ s, Marc ; Luis Luis, Josep Maria ; SolĂ  i Puig, Miquel ; Osuna Oliveras, SĂ­lvia
doc icon DUGiDocs 2011 September 5 Multireversible redox processes in pentanuclear bis(triple-helical) manganese complexes featuring an oxo-centered triangular {Mn II 2Mn III(ÎŒ 3-O)} 5+ or {Mn IIMn III 2(ÎŒ 3-O)} 6+ core wrapped by two {Mn II 2(bpp) 3} - Romain, Sophie ; Rich Masallera, Jordi ; Sens Llorca, Cristina ; Stoll, Thibaut ; Benet Buchholz, Jordi ; Llobet Dalmases, Antoni ; RodrĂ­guez Pizarro, Montserrat ; Romero GarcĂ­a, Isabel ; ClĂ©rac, Rodolphe ; MathoniĂšre, Corine ; Duboc, Carole ; Deronzier, Alain ; Collomb, Marie-NoĂ«lle
out url icon Recercat Multireversible redox processes in pentanuclear bis(triple-helical) manganese complexes featuring an oxo-centered triangular {Mn II 2Mn III(ÎŒ 3-O)} 5+ or {Mn IIMn III 2(ÎŒ 3-O)} 6+ core wrapped by two {Mn II 2(bpp) 3} - Romain, Sophie ; Rich Masallera, Jordi ; Sens Llorca, Cristina ; Stoll, Thibaut ; Benet Buchholz, Jordi ; Llobet Dalmases, Antoni ; RodrĂ­guez Pizarro, Montserrat ; Romero GarcĂ­a, Isabel ; ClĂ©rac, Rodolphe ; MathoniĂšre, Corine ; Duboc, Carole ; Deronzier, Alain ; Collomb, Marie-NoĂ«lle
doc icon DUGiDocs 2015 Nonheme Fe(IV) Oxo Complexes of Two New Pentadentate Ligands and Their Hydrogen-Atom and Oxygen-Atom Transfer Reactions Mitra, Mainak ; Nimir, Hassan ; Demeshko, Serhiy ; Bhat, Satish S. ; Malinkin, Sergey O. ; Haukka, Matti ; Lloret Fillol, Julio ; Lisensky, George C. ; Meyer, Franc ; Shteinman, Albert A. ; Browne, Wesley R. ; Hrovat, David A. ; Hrovat, David A. ; Richmond, Michael G. ; Costas Salgueiro, Miquel ; Nordlander, Ebbe
out url icon Recercat Nonheme Fe(IV) Oxo Complexes of Two New Pentadentate Ligands and Their Hydrogen-Atom and Oxygen-Atom Transfer Reactions Mitra, Mainak ; Nimir, Hassan ; Demeshko, Serhiy ; Bhat, Satish S. ; Malinkin, Sergey O. ; Haukka, Matti ; Lloret Fillol, Julio ; Lisensky, George C. ; Meyer, Franc ; Shteinman, Albert A. ; Browne, Wesley R. ; Hrovat, David A. ; Hrovat, David A. ; Richmond, Michael G. ; Costas Salgueiro, Miquel ; Nordlander, Ebbe
out url icon Recercat Nucleophilic Aryl Fluorination and Aryl Halide Exchange Mediated by a CuI/CuIII Catalytic Cycle Casitas Montero, Alícia ; Canta i Roldós, MercÚ ; Solà i Puig, Miquel ; Costas Salgueiro, Miquel ; Ribas Salamaña, Xavi
doc icon DUGiDocs 2011 Nucleophilic Aryl Fluorination and Aryl Halide Exchange Mediated by a CuI/CuIII Catalytic Cycle Casitas Montero, Alícia ; Canta i Roldós, MercÚ ; Solà i Puig, Miquel ; Costas Salgueiro, Miquel ; Ribas Salamaña, Xavi
doc icon DUGiDocs 2010 O2 Activation and Selective Phenolate ortho Hydroxylation by an Unsymmetric Dicopper m-h1:h1 -Peroxido Complex Garcia Bosch, Isaac ; Company Casadevall, Anna ; Frisch, Jonathan R. ; Torrent Sucarrat, Miquel ; Cardellach, Mar ; Gamba, Ilaria ; GĂŒell Serra, Mireia ; Casella, Luigi ; Que, Lawrence ; Ribas Salamaña, Xavi ; Luis Luis, Josep Maria ; Costas Salgueiro, Miquel
out url icon Recercat O2 Activation and Selective Phenolate ortho Hydroxylation by an Unsymmetric Dicopper m-h1:h1 -Peroxido Complex Garcia Bosch, Isaac ; Company Casadevall, Anna ; Frisch, Jonathan R. ; Torrent Sucarrat, Miquel ; Cardellach, Mar ; Gamba, Ilaria ; GĂŒell Serra, Mireia ; Casella, Luigi ; Que, Lawrence ; Ribas Salamaña, Xavi ; Luis Luis, Josep Maria ; Costas Salgueiro, Miquel
doc icon DUGiDocs 2013 March 11 On the validity of the maximum hardness principle and the minimum electrophilicity principle during chemical reactions Pan, Sudip ; SolĂ  i Puig, Miquel ; Chattaraj, Pratim K.
out url icon Recercat On the validity of the maximum hardness principle and the minimum electrophilicity principle during chemical reactions Pan, Sudip ; SolĂ  i Puig, Miquel ; Chattaraj, Pratim K.
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