Sb−5s lone pair dynamics and collinear magnetic ordering in Ba2FeSbSe5
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چکیده
منابع مشابه
Study of lone pair description in molecules by the modified delocalized floating spherical Gaussian orbital method.
This research has been carried out to study and find a rather general description for a lone pairorbital in molecules. Since the orbital parameters must be manageable in advance, and correctgeometry of the molecule (bond lengths) is depend on the appropriate lone pair description; theFSGO method including optimization has been used to obtain orbital parameters and energy. Theproposed models for...
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© Versita Sp. z o.o. Received 30 July 2010; Accepted 28 September 2010
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ژورنال
عنوان ژورنال: Physical Review B
سال: 2021
ISSN: 2469-9950,2469-9969
DOI: 10.1103/physrevb.103.054115