Conference paper

Photoelectron Spectra, MNDO Calculations and Electronic Structure of Some Saturated Steroids

Lj. Paša Tolić ; The Ruđer Bošković Institute, University of Zagreb, YU-41001, Zagreb Yugoslavia
B. Kovač ; The Ruđer Bošković Institute, University of Zagreb, YU-41001, Zagreb Yugoslavia
L. Klasinc ; The Ruđer Bošković Institute, University of Zagreb, YU-41001, Zagreb Yugoslavia
J. V. Knop ; Rechenzentrum der Universitet Dusseldorf, Dusseldorf, FR Germany
C. Kubli-Garfias ; Unidad de Investigacion Biomedica del CMN, IMSS, Mexico City, Mexico
S. P. McGlynn ; Department of Chemistry, Louisiana State University, Baton Rouge, La. 7080

Abstract

Photoelectron (PE) spectra in conection with semiempirical MNDO SCF MO calculations (assuming validity of Koopmans'theorem) and empirical arguments (i. e. composite molecule method) are used to derive (valence) electron structure of 5a-androstane (1), 5a-androstan-3-one (2), 5a-androstan-11-one (3), 5aandrostan- 17-one (4), 5a-androstane-3,17-dione (5) and 5a-androstane-3,11,17-trione (6).

Keywords

Hrčak ID:

175839

URI

https://hrcak.srce.hr/175839

Publication date:

25.2.1990.

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