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

Product formation in the Prato reaction on Sc3N@D5h-C80: preference for [5,6]-bonds, and not pyracylenic bonds

(2011) Sílvia Osuna et al.   CHEMICAL COMMUNICATIONS

Endohedral metallofullerenes: a unique host–guest association

(2011) Antonio Rodríguez-Fortea et al.   CHEMICAL SOCIETY REVIEWS

Large Gadolinium Nitride Cluster Encapsulated inside a Non-IPR Carbon Cage: A Theoretical Characterization on Gd3N@C78

(2011) Tao Yang et al.   CHEMPHYSCHEM

Charge controlled changes in the cluster and spin dynamics of Sc3N@C80(CF3)2: the flexible spin density distribution and its impact on ESR spectra

(2011) Alexey A. Popov et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Bingel−Hirsch Reactions on Non-IPR Gd3N@C2n(2n= 82 and 84)

(2010) Núria Alegret et al.   JOURNAL OF ORGANIC CHEMISTRY

The maximum pentagon separation rule provides a guideline for the structures of endohedral metallofullerenes

(2010) Antonio Rodríguez-Fortea et al.   Nature Chemistry

The reactivity of endohedral fullerenes. What can be learnt from computational studies?

(2010) Sílvia Osuna et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Chemical, Electrochemical, and Structural Properties of Endohedral Metallofullerenes

(2009) Manuel N. Chaur et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Reactivity and Regioselectivity of Noble Gas Endohedral Fullerenes Ng@C60and Ng2@C60(Ng=He–Xe)

(2009) Sílvia Osuna et al.   CHEMISTRY-A EUROPEAN JOURNAL

Electronic Structure and Redox Properties of Metal Nitride Endohedral Fullerenes M3N@C2n(M=Sc, Y, La, and Gd; 2n=80, 84, 88, 92, 96)

(2009) Ramón Valencia et al.   CHEMISTRY-A EUROPEAN JOURNAL

Carbon Pyramidalization in Fullerene Cages Induced by the Endohedral Cluster: Non-Scandium Mixed Metal Nitride Clusterfullerenes

(2008) Shangfeng Yang et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

The Isomers of Gadolinium Scandium Nitride Clusterfullerenes GdxSc3−xN@C80 (x=1, 2) and Their Influence on Cluster Structure

(2008) Shangfeng Yang et al.   CHEMISTRY-A EUROPEAN JOURNAL

Synthesis and Characterization of a Non-IPR Fullerene Derivative: Sc3N@C68[C(COOC2H5)2]

(2008) Ting Cai et al.   Journal of Physical Chemistry C

Computational Study on C80Enclosing Mixed Trimetallic Nitride Clusters of the Form GdxM3-xN (M = Sc, Sm, Lu)

(2008) Jianhua Wu et al.   Journal of Physical Chemistry C

Selective Formation of a Symmetric Sc3N@C78Bisadduct:  Adduct Docking Controlled by an Internal Trimetallic Nitride Cluster

(2008) Ting Cai et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Hindered Cluster Rotation and45Sc Hyperfine Splitting Constant in Distonoid Anion Radical Sc3N@C80−, and Spatial Spin−Charge Separation as a General Principle for Anions of Endohedral Fullerenes with Metal-Localized Lowest Unoccupied Molecular Orbitals

(2008) Alexey A. Popov et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Chemical Reactivity ofD3hC78(Metallo)Fullerene: Regioselectivity Changes Induced by Sc3N Encapsulation

(2008) Sílvia Osuna et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

The Diels−Alder Reaction on Endohedral Y3N@C78: The Importance of the Fullerene Strain Energy

(2008) Sílvia Osuna et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

QUILD: QUantum-regions interconnected by local descriptions

(2007) Marcel Swart et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY