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2016 |
The Regioselectivity of Bingel-Hirsch Cycloadditions on Isolated Pentagon Rule Endohedral Metallofullerenes |
Garcia Borrà s, Marc
; Cerón, Maira R.
; Osuna Oliveras, SÃlvia
; Izquierdo, Marta
; Luis Luis, Josep Maria
; Echegoyen, Luis A.
; Solà i Puig, Miquel
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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
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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
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The role of aromaticity in determining the molecular structure and reactivity of (endohedral metallo)fullerenes |
Garcia Borrà s, Marc
; Osuna Oliveras, SÃlvia
; Luis Luis, Josep Maria
; Swart, Marcel
; Solà i Puig, Miquel
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The role of aromaticity in determining the molecular structure and reactivity of (endohedral metallo)fullerenes |
Garcia Borrà s, Marc
; Osuna Oliveras, SÃlvia
; Luis Luis, Josep Maria
; Swart, Marcel
; Solà i Puig, Miquel
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2014 |
The role of aromaticity in determining the molecular structure and reactivity of (endohedral metallo)fullerenes |
Garcia Borrà s, Marc
; Osuna Oliveras, SÃlvia
; Luis Luis, Josep Maria
; Swart, Marcel
; Solà i Puig, Miquel
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Self-Assembled Tetragonal Prismatic Molecular Cage Highly Selective for Anionic π Guests |
GarcÃa Simón, Cristina
; Garcia Borrà s, Marc
; Gómez MartÃn, Laura
; Garcia Bosch, Isaac
; Osuna Oliveras, SÃlvia
; Swart, Marcel
; Luis Luis, Josep Maria
; Rovira, Concepció
; Almeida, Manuel
; Imaz, Inhar
; Maspoch, Daniel
; Costas Salgueiro, Miquel
; Ribas Salamaña, Xavi
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2013 |
Self-Assembled Tetragonal Prismatic Molecular Cage Highly Selective for Anionic π Guests |
GarcÃa Simón, Cristina
; Garcia Borrà s, Marc
; Gómez MartÃn, Laura
; Garcia Bosch, Isaac
; Osuna Oliveras, SÃlvia
; Swart, Marcel
; Luis Luis, Josep Maria
; Rovira, Concepció
; Almeida, Manuel
; Imaz, Inhar
; Maspoch, Daniel
; Costas Salgueiro, Miquel
; Ribas Salamaña, Xavi
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1998 |
Simple finite field method for calculation of static and dynamic vibrational hyperpolarizabilities: curvature contributions |
Kirtman, Bernard
; Luis Luis, Josep Maria
; Bishop, David M.
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Simple finite field method for calculation of static and dynamic vibrational hyperpolarizabilities: curvature contributions |
Kirtman, Bernard
; Luis Luis, Josep Maria
; Bishop, David M.
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2008 |
Simple finite field nuclear relaxation method for calculating vibrational contribution to degenerate four-wave mixing |
Kirtman, Bernard
; Luis Luis, Josep Maria
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Simple finite field nuclear relaxation method for calculating vibrational contribution to degenerate four-wave mixing |
Kirtman, Bernard
; Luis Luis, Josep Maria
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29 maig 2015 |
Structure and reactivity of endohedral (metallo)fullerenes |
GarcÃa Borrà s, Marc
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Structure and reactivity of endohedral (metallo)fullerenes |
Garcia Borrà s, Marc
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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 LuÃs
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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 LuÃs
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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
; MartÃ, Josep
; Duran i Portas, Miquel
; Andrés, José LuÃs
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Systematic study of the static electrical properties of the CO molecule: influence of the basis set size and correlation energy |
Luis Luis, Josep Maria
; MartÃ, Josep
; Duran i Portas, Miquel
; Andrés, José LuÃs
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30 juliol 2009 |
Theoretical studies of systems of biochemical interest containing Fe and Cu transition metals |
Güell Serra, Mireia
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Theoretical studies of systems of biochemical interest containing Fe and Cu transition metals |
Güell Serra, Mireia
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2000 |
Theoretical study of the second-order vibrational Stark effect |
MartÃ, Josep
; Luis Luis, Josep Maria
; Duran i Portas, Miquel
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Theoretical study of the second-order vibrational Stark effect |
MartÃ, Josep
; Luis Luis, Josep Maria
; Duran i Portas, Miquel
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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
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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
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Theoretical study of water oxidation and reduction mechanisms by aminopyridine first row transition metal catalysts |
Acuña-Parés, Ferran
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