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Density-functional theory models of Fe(iv)O reactivity in m..:
Saiz, Fernan
;
Bernasconi, Leonardo
Physical Chemistry Chemical Physics. 22 (2020) 22 - p. 12821-12830 , 2020
Link:
https://doi.org/10.1039/d0cp01285h
RT Journal T1 <Title>Density-functional theory models of Fe(iv)O reactivity in metal–organic frameworks: self-interaction error, spin delocalisation and the role of hybrid exchange</Title> UL https://suche.suub.uni-bremen.de/peid=cr-10.1039_d0cp01285h&Exemplar=1&LAN=DE A1 Saiz, Fernan A1 Bernasconi, Leonardo PB Royal Society of Chemistry (RSC) YR 2020 SN 1463-9076 SN 1463-9084 JF Physical Chemistry Chemical Physics VO 22 IS 22 SP 12821 OP 12830 LK http://dx.doi.org/https://doi.org/10.1039/d0cp01285h DO https://doi.org/10.1039/d0cp01285h SF ELIB - SuUB Bremen
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