No Detail Found!

Calculations with some basic Floating Spherical.Gaussian Orbital (FSGO) sets for the H2 molecule.

Author(s)
M. AFZAL Department of Chemistry, Faculty of Science, Riyadh University, Saudi Arabia
P.K. BUTT Department of Chemistry, Quaid-e-Azam University, Islamabad Pakistan.
Abstract
Summary: The floating spherical gaussian orbital (FSGO) model has been used to compute energy and orbital parameters for the H2 molecule using concentric, non-concentric and cusp functions. The results are discussed in terms of well known localized and non-localized molecular orbital theories.
Publication Details
Page(s) 51-55
DOI DOI not available
Published Journal: Journal of Chemical Society of Pakistan, Volume: 3, Issue: 2, Year: 1981

Request the full text from PASTIC

0

Citations

0

Downloads

69

Views