Ab initio calculations as a quantitative tool in the inelastic neutron scattering study of a single-molecule magnet analogue
Keyword(s):
Ab initio calculations of the electronic structure of Na9[Tb(W5O18)2] have allowed interpretation of the inelastic neutron scattering spectra, revealing the subtle relationship between molecular geometry and magnetic properties of two isostructural species.
2005 ◽
Vol 44
(27)
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pp. 4239-4242
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2016 ◽
Vol 55
(11)
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pp. 5201-5214
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2005 ◽
Vol 359-361
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pp. 1219-1221
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2004 ◽
Vol 334-335
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pp. 295-297