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Results: 114

Marc Garcia-Borràs, Sílvia Osuna, Marcel Swart, Josep M. Luis, Miquel Solà
Maximum Aromaticity as a Guiding Principle for the Most Suitable Hosting Cages in Endohedral Metallofullerenes
Angew. Chem. Int. Ed., 2013, 52, 9275-9278
DOI: 10.1002/anie.201303636

Cristina García-Simón, Marc Garcia-Borràs, Laura Gómez, Isaac Garcia-Bosch, Sílvia Osuna, Marcel Swart, Josep M. Luis, Concepció Rovira, Manuel Almeida, Inhar Imaz, Daniel Maspoch, Miquel Costas, Xavi Ribas
Self-Assembled Tetragonal Prismatic Molecular Cage Highly Selective for Anionic Guests
Chem-Eur J., 2013, 19, 1445-1456
DOI: 10.1002/chem.201203376

Marc Garcia-Borràs, Sílvia Osuna, Josep M. Luis, Marcel Swart, Miquel Solà
A Complete Guide on the Influence of Metal Clusters in the Diels-Alder Regioselectivity ofI -C₈₀ Endohedral Metallofullerenes
Chem-Eur J., 2013, 19, 14931-14940
DOI: 10.1002/chem.201302202

Marc Garcia-Borràs, Josep M. Luis, Marcel Swart, Miquel Solà
Diels–Alder and Retro-Diels–Alder Cycloadditions of (1,2,3,4,5-Pentamethyl)cyclopentadiene to La@C_2v-C₈₂: Regioselectivity and Product Stability
Chem-Eur J., 2013, 19, 4468-4479
DOI: 10.1002/chem.201203517

Irene Prat, Anna Company, Verònica Postils, Xavi Ribas, Lawrence Que, Josep M. Luis, Miquel Costas
The Mechanism of Stereospecific CH Oxidation by Fe(Pytacn) Complexes: Bioinspired Non-Heme Iron Catalysts Containing
Chem-Eur J., 2013, 19, 6724-6738
DOI: 10.1002/chem.201300110

Zoel Codolà, Isaac Garcia-Bosch, Ferran Acuña-Parés, Irene Prat, Josep M. Luis, Miquel Costas, Julio Lloret-Fillol
Electronic Effects on Single-Site Iron Catalysts for Water Oxidation
Chem-Eur J., 2013, 19, 8042-8047
DOI: 10.1002/chem.201301112

Marc Garcia-Borràs, Sílvia Osuna, Marcel Swart, Josep M. Luis, Miquel Solà
Electrochemical control of the regioselectivity in the exohedral functionalization of C60: the role of aromaticity
Chem. Commun., 2013, 49, 1220-1222
DOI: 10.1039/c2cc38390j

Marc Garcia-Borràs, Sílvia Osuna, Marcel Swart, Josep M. Luis, Luis Echegoyen, Miquel Solà
Aromaticity as the driving force for the stability of non-IPR endohedral metallofullerene Bingel–Hirsch adducts
Chem. Commun., 2013, 49, 8767-8769
DOI: 10.1039/c3cc44505d

Robert Zaleśny, Robert W. Góra, Justyna Kozłowska, Josep M. Luis, Hans Ågren, Wojciech Bartkowiak
Resonant and Nonresonant Hyperpolarizabilities of Spatially Confined Molecules: A Case Study of Cyanoacetylene
J. Chem. Theory Comput., 2013, 9, 3463-3472
DOI: 10.1021/ct400410m

Marc Garcia-Borràs, Miquel Solà, David Lauvergnat, Heribert Reis, Josep M. Luis, Bernard Kirtman
A Full Dimensionality Approach to Evaluate the Nonlinear Optical Properties of Molecules with Large Amplitude Anharmonic Tunneling Motions
J. Chem. Theory Comput., 2013, 9, 520-532
DOI: 10.1021/ct300805p