Accession Number:

ADA255811

Title:

Ab Initio Molecular Orbital Calculations for Magnesium-Containing Systems

Descriptive Note:

Final rept. 1 Jun 1991-31 May 1992

Corporate Author:

ROYAL HOLLOWAY AND BEDFORD NEW COLL EGHAM (UNITED KINGDOM) DEPT OF CHEMISTRY

Personal Author(s):

Report Date:

1992-08-01

Pagination or Media Count:

15.0

Abstract:

Ab initio molecular orbital calculations for selected magnesium- containing systems have been performed with extended basis sets to examine the convergence of the electrical dipole moment and the total electronic energy.

Subject Categories:

  • Inorganic Chemistry
  • Physical Chemistry
  • Electricity and Magnetism
  • Atomic and Molecular Physics and Spectroscopy

Distribution Statement:

APPROVED FOR PUBLIC RELEASE