Accession Number : ADA333494

Title :   Massively Parallel Complete Active Space Self Consistent Field Molecular Dynamics

Descriptive Note : Final rept. 1 Jun 93-31 May 97

Corporate Author : CALIFORNIA UNIV LOS ANGELES DEPT OF CHEMISTRY AND BIOCHEMISTRY

Personal Author(s) : Carter, Emily A.

PDF Url : ADA333494

Report Date : 10 SEP 1997

Pagination or Media Count : 4

Abstract : This report briefly summarizes the research developments in ab initio dynamics made possible by this augmentation award to the parent ONR grant. A full description of the research accomplishments will appear in the final technical report of the parent grant (due 14 March 1998).

Descriptors :   *MOLECULAR STRUCTURE, CORRELATION TECHNIQUES.

Subject Categories : Biochemistry
      Organic Chemistry

Distribution Statement : APPROVED FOR PUBLIC RELEASE