Publication
Title
The inhomogeneous electron liquid in the ligand oestradiol compared and contrasted with that in oestrone
Author
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.
Language
English
Source (journal)
Physics and chemistry of liquids. - London
Publication
London : 2012
ISSN
0031-9104
Volume/pages
50:2(2012), p. 271-277
ISI
000304271100012
Full text (Publisher's DOI)
UAntwerpen
Faculty/Department
Research group
Publication type
Subject
Affiliation
Publications with a UAntwerp address
External links
Web of Science
Record
Identification
Creation 03.07.2012
Last edited 11.08.2017
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