Cubane oxides inside middle-size fullerenes: the next endohedrals to be detected?
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| 024 | 7 | 0 | |a 10.1007/s00214-014-1608-0 |2 doi |
| 035 | |a (NATIONALLICENCE)springer-10.1007/s00214-014-1608-0 | ||
| 245 | 0 | 0 | |a Cubane oxides inside middle-size fullerenes: the next endohedrals to be detected? |h [Elektronische Daten] |c [Núria Alegret, Laura Abella, Antonio Rodríguez-Fortea, Josep Poblet] |
| 520 | 3 | |a From a comparison with the already isolated and characterized Sc4(μ3-O)3@C80 metallofullerene, we propose here that an even larger 8-atom cubane oxide M4(μ3-O)4 could also be encapsulated inside other middle-size fullerenes that would formally accept four electrons. Several possibilities are suggested for M=Sc and Lu. | |
| 540 | |a Springer-Verlag Berlin Heidelberg, 2015 | ||
| 690 | 7 | |a Fullerene |2 nationallicence | |
| 690 | 7 | |a Endohedral |2 nationallicence | |
| 690 | 7 | |a IPR |2 nationallicence | |
| 690 | 7 | |a DFT |2 nationallicence | |
| 690 | 7 | |a Computation |2 nationallicence | |
| 690 | 7 | |a Scandium |2 nationallicence | |
| 690 | 7 | |a Oxide cluster |2 nationallicence | |
| 690 | 7 | |a Cubane |2 nationallicence | |
| 700 | 1 | |a Alegret |D Núria |u Departament de Química Física i Inorgànica, Universitat Rovira i Virgili, c/Marcel·lí Domingo, s/n, Campus Sescelades, 43007, Tarragona, Spain |4 aut | |
| 700 | 1 | |a Abella |D Laura |u Departament de Química Física i Inorgànica, Universitat Rovira i Virgili, c/Marcel·lí Domingo, s/n, Campus Sescelades, 43007, Tarragona, Spain |4 aut | |
| 700 | 1 | |a Rodríguez-Fortea |D Antonio |u Departament de Química Física i Inorgànica, Universitat Rovira i Virgili, c/Marcel·lí Domingo, s/n, Campus Sescelades, 43007, Tarragona, Spain |4 aut | |
| 700 | 1 | |a Poblet |D Josep |u Departament de Química Física i Inorgànica, Universitat Rovira i Virgili, c/Marcel·lí Domingo, s/n, Campus Sescelades, 43007, Tarragona, Spain |4 aut | |
| 773 | 0 | |t Theoretical Chemistry Accounts |d Springer Berlin Heidelberg |g 134/2(2015-02-01), 1-6 |x 1432-881X |q 134:2<1 |1 2015 |2 134 |o 214 | |
| 856 | 4 | 0 | |u https://doi.org/10.1007/s00214-014-1608-0 |q text/html |z Onlinezugriff via DOI |
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| 900 | 7 | |a Metadata rights reserved |b Springer special CC-BY-NC licence |2 nationallicence | |
| 908 | |D 1 |a research-article |2 jats | ||
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| 950 | |B NATIONALLICENCE |P 856 |E 40 |u https://doi.org/10.1007/s00214-014-1608-0 |q text/html |z Onlinezugriff via DOI | ||
| 950 | |B NATIONALLICENCE |P 700 |E 1- |a Alegret |D Núria |u Departament de Química Física i Inorgànica, Universitat Rovira i Virgili, c/Marcel·lí Domingo, s/n, Campus Sescelades, 43007, Tarragona, Spain |4 aut | ||
| 950 | |B NATIONALLICENCE |P 700 |E 1- |a Abella |D Laura |u Departament de Química Física i Inorgànica, Universitat Rovira i Virgili, c/Marcel·lí Domingo, s/n, Campus Sescelades, 43007, Tarragona, Spain |4 aut | ||
| 950 | |B NATIONALLICENCE |P 700 |E 1- |a Rodríguez-Fortea |D Antonio |u Departament de Química Física i Inorgànica, Universitat Rovira i Virgili, c/Marcel·lí Domingo, s/n, Campus Sescelades, 43007, Tarragona, Spain |4 aut | ||
| 950 | |B NATIONALLICENCE |P 700 |E 1- |a Poblet |D Josep |u Departament de Química Física i Inorgànica, Universitat Rovira i Virgili, c/Marcel·lí Domingo, s/n, Campus Sescelades, 43007, Tarragona, Spain |4 aut | ||
| 950 | |B NATIONALLICENCE |P 773 |E 0- |t Theoretical Chemistry Accounts |d Springer Berlin Heidelberg |g 134/2(2015-02-01), 1-6 |x 1432-881X |q 134:2<1 |1 2015 |2 134 |o 214 | ||