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doc icon DUGiDocs 2016 The Regioselectivity of Bingel-Hirsch Cycloadditions on Isolated Pentagon Rule Endohedral Metallofullerenes Garcia Borràs, Marc ; Cerón, Maira R. ; Osuna Oliveras, Sílvia ; Izquierdo, Marta ; Luis Luis, Josep Maria ; Echegoyen, Luis A. ; Solà i Puig, Miquel
doc icon DUGiDocs 2003 Relations among several nuclear and electronic density functional reactivity indexes Torrent Sucarrat, Miquel ; Luis Luis, Josep Maria ; Duran i Portas, Miquel ; Toro-Labbé, Alejandro ; Solà i Puig, Miquel
out url icon Recercat Relations among several nuclear and electronic density functional reactivity indexes Torrent Sucarrat, Miquel ; Luis Luis, Josep Maria ; Duran i Portas, Miquel ; Toro-Labbé, Alejandro ; 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
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 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
doc icon DUGiDocs 1998 Simple finite field method for calculation of static and dynamic vibrational hyperpolarizabilities: curvature contributions Kirtman, Bernard ; Luis Luis, Josep Maria ; Bishop, David M.
out url icon Recercat Simple finite field method for calculation of static and dynamic vibrational hyperpolarizabilities: curvature contributions Kirtman, Bernard ; Luis Luis, Josep Maria ; Bishop, David M.
doc icon DUGiDocs 2008 Simple finite field nuclear relaxation method for calculating vibrational contribution to degenerate four-wave mixing Kirtman, Bernard ; Luis Luis, Josep Maria
out url icon Recercat Simple finite field nuclear relaxation method for calculating vibrational contribution to degenerate four-wave mixing Kirtman, Bernard ; Luis Luis, Josep Maria
doc icon TDX 29 maig 2015 Structure and reactivity of endohedral (metallo)fullerenes García Borràs, Marc
out url icon Recercat Structure and reactivity of endohedral (metallo)fullerenes Garcia Borràs, Marc
doc icon DUGiDocs 1997 A systematic and feasible method for computing nuclear contributions to electrical properties of polyatomic molecules Luis Luis, Josep Maria ; Duran i Portas, Miquel ; Andrés, José Luís
out url icon Recercat A systematic and feasible method for computing nuclear contributions to electrical properties of polyatomic molecules Luis Luis, Josep Maria ; Duran i Portas, Miquel ; Andrés, José Luís
doc icon DUGiDocs 1995 Systematic study of the static electrical properties of the CO molecule: influence of the basis set size and correlation energy Luis Luis, Josep Maria ; Martí, Josep ; Duran i Portas, Miquel ; Andrés, José Luís
out url icon Recercat Systematic study of the static electrical properties of the CO molecule: influence of the basis set size and correlation energy Luis Luis, Josep Maria ; Martí, Josep ; Duran i Portas, Miquel ; Andrés, José Luís
doc icon TDX 30 juliol 2009 Theoretical studies of systems of biochemical interest containing Fe and Cu transition metals Güell Serra, Mireia
out url icon Recercat Theoretical studies of systems of biochemical interest containing Fe and Cu transition metals Güell Serra, Mireia
doc icon DUGiDocs 2000 Theoretical study of the second-order vibrational Stark effect Martí, Josep ; Luis Luis, Josep Maria ; Duran i Portas, Miquel
out url icon Recercat Theoretical study of the second-order vibrational Stark effect Martí, Josep ; Luis Luis, Josep Maria ; Duran i Portas, Miquel
out url icon Recercat Theoretical study of the water oxidation mechanism with non-heme Fe (Pytacn) iron complexes. Evidence that the FeIV(O)(Pytacn) species cannot react with the water molecule to form the O-O bond Acuña-Parés, Ferran ; Costas Salgueiro, Miquel ; Luis Luis, Josep Maria ; Lloret Fillol, Julio
doc icon DUGiDocs 2014 Theoretical study of the water oxidation mechanism with non-heme Fe (Pytacn) iron complexes. Evidence that the FeIV(O)(Pytacn) species cannot react with the water molecule to form the O-O bond Acuña-Parés, Ferran ; Costas Salgueiro, Miquel ; Luis Luis, Josep Maria ; Lloret Fillol, Julio
out url icon Recercat Theoretical study of water oxidation and reduction mechanisms by aminopyridine first row transition metal catalysts Acuña-Parés, Ferran
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