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Results: 66

JuanPablo Martínez, Sílvia Osuna, Miquel Solà, Alexander A. Voityuk
Extent of charge separation and exciton delocalization for electronically excited states in a triphenylamine-C60 donor–acceptor conjugate: a combined molecular dynamics and TD-DFT study
Theor Chem Acc, 2015, 134, 12
DOI: 10.1007/s00214-015-1614-x

Safwan Aroua, Marc Garcia-Borràs, Sílvia Osuna, Yoko Yamakoshi
Essential Factors for Control of the Equilibrium in the Reversible Rearrangement of M₃N@I_h-C₈₀ Fulleropyrrolidines: Exohedral Functional Groups versus Endohedral Metal Clusters
Chem-Eur J., 2014, 20, 14032-14039
DOI: 10.1002/chem.201403743

Marc Garcia-Borràs, Sílvia Osuna, Josep M. Luis, Marcel Swart, Miquel Solà
The role of aromaticity in determining the molecular structure and reactivity of (endohedral metallo)fullerenes
Chem. Soc. Rev., 2014, 43, 5089-5105
DOI: 10.1039/c4cs00040d

Cristina García-Simón, Marc Garcia-Borràs, Laura Gómez, Teodor Parella, Sílvia Osuna, Jordi Juanhuix, Inhar Imaz, Daniel Maspoch, Miquel Costas, Xavi Ribas
Sponge-like molecular cage for purification of fullerenes
Nat Comms, 2014, 5, 5557
DOI: 10.1038/ncomms6557

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, 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

Sílvia Osuna, Marcel Swart

Editorial (Hot Topic: Nanoreactors and Molecular Prisons)
COC, 2013, 17, 1469-1469
DOI: 10.2174/1385272811317140002
Keywords: Computational chemistry, Confined space, Density Functional Theory