Toward (car)borane-based molecular magnets
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| 024 | 7 | 0 | |a 10.1007/s00214-014-1611-5 |2 doi |
| 035 | |a (NATIONALLICENCE)springer-10.1007/s00214-014-1611-5 | ||
| 245 | 0 | 0 | |a Toward (car)borane-based molecular magnets |h [Elektronische Daten] |c [Josep Oliva, Diego Alcoba, Ofelia Oña, Alicia Torre, Luis Lain, Josef Michl] |
| 520 | 3 | |a In a previous work, we reported the electronic structure of dimer diradicals composed of two S=½ closo-carborane CB11H 12 · structural units (Theor. Chem. Acc. (2013) 132: 1329). That work has been extended here in order to describe a linear dimer, a linear and a cyclical trimer, and a tetrahedral structure of these units connected by means of a -CH2- bridge. A mapping of the resulting spin states onto a Heisenberg spin Hamiltonian is proposed for these new chains providing the evaluation of spin-exchange coupling constants. | |
| 540 | |a Springer-Verlag Berlin Heidelberg, 2015 | ||
| 690 | 7 | |a Carboranes |2 nationallicence | |
| 690 | 7 | |a Spin population |2 nationallicence | |
| 690 | 7 | |a Heisenberg spin Hamiltonian |2 nationallicence | |
| 690 | 7 | |a Heisenberg coupling constants |2 nationallicence | |
| 700 | 1 | |a Oliva |D Josep |u Instituto de Química-Física "Rocasolano”, Consejo Superior de Investigaciones Científicas, 28006, Madrid, Spain |4 aut | |
| 700 | 1 | |a Alcoba |D Diego |u Departamento de Física, Facultad de Ciencias Exactas y Naturales, Universidad de Buenos Aires, Buenos Aires, Argentina |4 aut | |
| 700 | 1 | |a Oña |D Ofelia |u Instituto de Investigaciones Fisicoquímicas Teóricas y Aplicadas, Universidad Nacional de La Plata, CCT La Plata, Consejo Nacional de Investigaciones Científicas y Técnicas, Diag. 113 y 64 (S/N), Sucursal 4, CC 16, 1900, La Plata, Argentina |4 aut | |
| 700 | 1 | |a Torre |D Alicia |u Departamento de Química Física, Facultad de Ciencia y Tecnología, Universidad del País Vasco, Apdo. 644, 48080, Bilbao, Spain |4 aut | |
| 700 | 1 | |a Lain |D Luis |u Departamento de Química Física, Facultad de Ciencia y Tecnología, Universidad del País Vasco, Apdo. 644, 48080, Bilbao, Spain |4 aut | |
| 700 | 1 | |a Michl |D Josef |u Institute of Organic Chemistry and Biochemistry, Academy of Sciences of the Czech Republic, 166 10, Prague 6, Czech Republic |4 aut | |
| 773 | 0 | |t Theoretical Chemistry Accounts |d Springer Berlin Heidelberg |g 134/2(2015-02-01), 1-8 |x 1432-881X |q 134:2<1 |1 2015 |2 134 |o 214 | |
| 856 | 4 | 0 | |u https://doi.org/10.1007/s00214-014-1611-5 |q text/html |z Onlinezugriff via DOI |
| 898 | |a BK010053 |b XK010053 |c XK010000 | ||
| 900 | 7 | |a Metadata rights reserved |b Springer special CC-BY-NC licence |2 nationallicence | |
| 908 | |D 1 |a research-article |2 jats | ||
| 949 | |B NATIONALLICENCE |F NATIONALLICENCE |b NL-springer | ||
| 950 | |B NATIONALLICENCE |P 856 |E 40 |u https://doi.org/10.1007/s00214-014-1611-5 |q text/html |z Onlinezugriff via DOI | ||
| 950 | |B NATIONALLICENCE |P 700 |E 1- |a Oliva |D Josep |u Instituto de Química-Física "Rocasolano”, Consejo Superior de Investigaciones Científicas, 28006, Madrid, Spain |4 aut | ||
| 950 | |B NATIONALLICENCE |P 700 |E 1- |a Alcoba |D Diego |u Departamento de Física, Facultad de Ciencias Exactas y Naturales, Universidad de Buenos Aires, Buenos Aires, Argentina |4 aut | ||
| 950 | |B NATIONALLICENCE |P 700 |E 1- |a Oña |D Ofelia |u Instituto de Investigaciones Fisicoquímicas Teóricas y Aplicadas, Universidad Nacional de La Plata, CCT La Plata, Consejo Nacional de Investigaciones Científicas y Técnicas, Diag. 113 y 64 (S/N), Sucursal 4, CC 16, 1900, La Plata, Argentina |4 aut | ||
| 950 | |B NATIONALLICENCE |P 700 |E 1- |a Torre |D Alicia |u Departamento de Química Física, Facultad de Ciencia y Tecnología, Universidad del País Vasco, Apdo. 644, 48080, Bilbao, Spain |4 aut | ||
| 950 | |B NATIONALLICENCE |P 700 |E 1- |a Lain |D Luis |u Departamento de Química Física, Facultad de Ciencia y Tecnología, Universidad del País Vasco, Apdo. 644, 48080, Bilbao, Spain |4 aut | ||
| 950 | |B NATIONALLICENCE |P 700 |E 1- |a Michl |D Josef |u Institute of Organic Chemistry and Biochemistry, Academy of Sciences of the Czech Republic, 166 10, Prague 6, Czech Republic |4 aut | ||
| 950 | |B NATIONALLICENCE |P 773 |E 0- |t Theoretical Chemistry Accounts |d Springer Berlin Heidelberg |g 134/2(2015-02-01), 1-8 |x 1432-881X |q 134:2<1 |1 2015 |2 134 |o 214 | ||