Title
The inhomogeneous electron liquid in the ligand oestradiol compared and contrasted with that in oestroneThe inhomogeneous electron liquid in the ligand oestradiol compared and contrasted with that in oestrone
Author
Faculty/Department
Faculty of Sciences. Physics
Research group
Department of Physics
Publication type
article
Publication
London,
Subject
Physics
Chemistry
Source (journal)
Physics and chemistry of liquids. - London
Volume/pages
50(2012):2, p. 271-277
ISSN
0031-9104
ISI
000304271100012
Carrier
E
Target language
English (eng)
Full text (Publishers DOI)
Affiliation
University of Antwerp
Abstract
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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