Please use this identifier to cite or link to this item: http://nopr.niscair.res.in/handle/123456789/46773
Title: Valence electron density from pseudopotential FSGO model and radius of atoms and molecular anisotropy in some diatoms
Authors: Rastogi, R C
Kaur, S
Ray, N K
Issue Date: Aug-1989
Publisher: NISCAIR-CSIR, India
Abstract: Electron density contours (0.002 au) obtained from model potential FSGO studies have been satisfactorily used-to estimate the nonbonded radii of atoms in H2, Li2, C2, N2, O2, F2, CO and HF molecules. These radii are used to estimate 'naturally partitioned' length (LP) and width (WP). The quantity [(LP,/WP)-l] is shown to be proportional to the available molecular anisotropy parameter (K). The calculated average electric polarizabilities (ɑ) are also in good agreement with available data. ɑ and K values are used to estimate [ɑ-ɑ] values for the diatoms studied.
Page(s): 696-697
URI: http://nopr.niscair.res.in/handle/123456789/46773
ISSN: 0975-0975(Online); 0376-4710(Print)
Appears in Collections:IJC-A Vol.28A(08) [August 1989]

Files in This Item:
File Description SizeFormat 
IJCA 28A(8) 696-697.pdf1.16 MBAdobe PDFView/Open


Items in NOPR are protected by copyright, with all rights reserved, unless otherwise indicated.