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On the formation of smaller p-block endohedral fullerenes: Bonding analysis in the E@C20 (E = Si, Ge, Sn, Pb) series from relativistic DFT calculations

Muñoz-Castro A.; King R.B. (John Wiley and Sons Inc., 2017)

Evaluation of bonding, electron affinity, and optical properties of M@C28 (M = Zr, Hf, Th, and U): Role of d- and f-orbitals in endohedral fullerenes from relativistic DFT calculations

Muñoz-Castro A.; Bruce King R. (John Wiley and Sons Inc., 2017)

Au11Re: A hollow or endohedral binary cluster?

MacLeod Carey D.; Muñoz-Castro A. (Elsevier B.V., 2018)

On the search of small Cu-Ru atomically precise Superatoms. Cu10Ru cluster as a stable 18-ve endohedral structure

Rodríguez-Kessler P.L.; Rodríguez-Domínguez A.R.; Morato-Márquez J.A.; Ortiz-Chi F.; MacLeod Carey D.; Muñoz-Castro A. (Elsevier B.V., 2020)

Intermediates for larger endohedral metallofullerenes: theoretical characterization of m@c 44 species

Autor desconocido (2018)

Endohedral metallofullerenes M@C-44 containing several different endohedral species have been considered as intermediates in the path to form larger species. Such compounds containing interstitial atoms of groups 3 and 4, ...

Symmetry lowering by cage doping in spherical superatoms: Evaluation of electronic and optical properties of 18-electron W@Au 12 Pt n (n = 0-4) superatomic clusters from relativistic DFT calculations

Gam F.; Arratia-Perez R.; Kahlal S.; Saillard J.-Y.; Muñoz-Castro A. (John Wiley and Sons Inc., 2019)

Golden endohedral main-group clusters, [e@au-12](q-): theoretical insights into the 20-e principle

Autor desconocido (AMER CHEMICAL SOC, 2013)

Endohedral cluster of li10o with t-d symmetry

Autor desconocido (AMERICAN CHEMICAL SOCIETY, 2009)

Endohedral terthiophene in zigzag carbon nanotubes: density functional calculations

Autor desconocido (AMERICAN PHYSICAL SOCIETY, 2006)

Endohedral terthiophene in zigzag carbon nanotubes: density functional calculations

Autor desconocido (AMERICAN PHYSICAL SOCIETY, 2006)

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On the formation of smaller p-block endohedral fullerenes: Bonding analysis in the E@C20 (E = Si, Ge, Sn, Pb) series from relativistic DFT calculations

Evaluation of bonding, electron affinity, and optical properties of M@C28 (M = Zr, Hf, Th, and U): Role of d- and f-orbitals in endohedral fullerenes from relativistic DFT calculations

Au11Re: A hollow or endohedral binary cluster?

On the search of small Cu-Ru atomically precise Superatoms. Cu10Ru cluster as a stable 18-ve endohedral structure

Intermediates for larger endohedral metallofullerenes: theoretical characterization of m@c 44 species

Symmetry lowering by cage doping in spherical superatoms: Evaluation of electronic and optical properties of 18-electron W@Au 12 Pt n (n = 0-4) superatomic clusters from relativistic DFT calculations

Golden endohedral main-group clusters, [e@au-12](q-): theoretical insights into the 20-e principle

Endohedral cluster of li10o with t-d symmetry

Endohedral terthiophene in zigzag carbon nanotubes: density functional calculations

Endohedral terthiophene in zigzag carbon nanotubes: density functional calculations