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Titolo:
Finite-temperature characterization and simulations of the molecular assemblies Mn-6 and Ni-12
Autore:
Kamieniarz, G; Matysiak, R; DAuria, AC; Esposito, F; Benelli, C;
Indirizzi:
Adam Mickiewicz Univ Poznan, Inst Phys, Computat Phys Div, PL-61614 Poznan, Poland Adam Mickiewicz Univ Poznan Poznan Poland PL-61614 -61614 Poznan, Poland Pedag Univ Zielona Gora, Inst Technol, Zielona Gora, Poland Pedag Univ Zielona Gora Zielona Gora Poland chnol, Zielona Gora, Poland Univ Naples, Dipartimento Sci Fis, I-80125 Naples, Italy Univ Naples Naples Italy I-80125 rtimento Sci Fis, I-80125 Naples, Italy INFM, Unita Napoli, Naples, Italy INFM Naples ItalyINFM, Unita Napoli, Naples, Italy Univ Florence, Dipartimento Chim, I-50144 Florence, Italy Univ Florence Florence Italy I-50144 mento Chim, I-50144 Florence, Italy
Titolo Testata:
EUROPEAN PHYSICAL JOURNAL B
fascicolo: 2, volume: 23, anno: 2001,
pagine: 183 - 189
SICI:
1434-6028(200109)23:2<183:FCASOT>2.0.ZU;2-B
Fonte:
ISI
Lingua:
ENG
Soggetto:
MAGNETIC-PROPERTIES; GROUND-STATE; CLUSTERS; COMPLEX; CHAINS; S=1; THERMODYNAMICS; TRANSITION; RINGS; IONS;
Tipo documento:
Article
Natura:
Periodico
Settore Disciplinare:
Physical, Chemical & Earth Sciences
Citazioni:
37
Recensione:
Indirizzi per estratti:
Indirizzo: Esposito, F Adam Mickiewicz Univ Poznan, Inst Phys, Computat Phys Div, Ul Umultowska 85, PL-61614 Poznan, Poland Adam Mickiewicz Univ Poznan Ul Umultowska 85 Poznan Poland PL-61614
Citazione:
G. Kamieniarz et al., "Finite-temperature characterization and simulations of the molecular assemblies Mn-6 and Ni-12", EUR PHY J B, 23(2), 2001, pp. 183-189

Abstract

Numerical transfer-matrix approach and exact diagonalization technique exploiting the point-group symmetry and the properties of the shift operator are worked out in the framework of quantum statistical mechanics for the isotropic Heisenberg spin Hamiltonian with the ring geometry. They are appliedin large-scale simulations to the title high nuclearity cyclic clusters Mn-6 (i.e. [Mn(hfac)(2)NITPh](6)) and Ni-12 (i.e. Ni-12(O2CMe)(12)(chp)(12)(H2O)(6)(THF)(6)) in order to model quantitatively their magnetic properties. For Ni-12 complex new experimental susceptibility data are also reported. New microscopic spin model parameters for both molecules are obtained from a fit of the theoretical susceptibility curves to the experimental results.

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Documento generato il 28/03/20 alle ore 13:46:43