Title
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The inhomogeneous electron liquid in the ligand oestradiol compared and contrasted with that in oestrone
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Author
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Abstract
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Following earlier theoretical work on a candidate hormone bonded with the Ru complex NAMI-A, here, we begin an extension to involve the ligand oestradiol. In particular, we shall compare and contrast the ground-state inhomogeneous electron liquid in oestradiol with that in the closely related hormone; oestrone. Both these systems are studied quantum-chemically at the level of restricted Hartree-Fock theory (RHF). In each case, the equilibrium geometries are recorded in tabular form. The sum of the RHF-occupied eigenvalues is related to the ground-state energy of the electron liquid in each case. Finally, a brief qualitative discussion is added of the way the ligand oestradiol can cause dimerisation of oestrogen receptors and its likely interest for cell biology and for human breast cancer. |
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Language
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English
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Source (journal)
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Physics and chemistry of liquids. - London
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Publication
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London
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2012
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ISSN
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0031-9104
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DOI
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10.1080/00319104.2011.604780
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Volume/pages
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50
:2
(2012)
, p. 271-277
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ISI
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000304271100012
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Full text (Publisher's DOI)
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