Accession Number:

ADA245703

Title:

Meeting on Solute/Solvent Interactions Held in Aberdeen Proving Ground, Maryland on May 29-30, 1991

Descriptive Note:

Final rept.

Corporate Author:

CHEMICAL RESEARCH DEVELOPMENT AND ENGINEERING CENTER ABERDEEN PROVING GROUNDMD

Personal Author(s):

Report Date:

1992-01-01

Pagination or Media Count:

162.0

Abstract:

At the Meeting on SoluteSolvent Interactions there were 16 presenters from CRDEC, Naval Research Laboratory, Environmental Protection Agency, and academic institutions. Over the two day period, the presentations were divided into 4 basic session areas Equilibrium, Theoretical, New Approaches, and Polymers. Many topic areas applicable to solutesolvent interactions were covered. Most prevalent were applications involving the generalized linear solvation energy relationship LSER, and new methods to measure the necessary parameters. In addition, theoretical approaches were presented that apply both ab initio and semi-empirical quantum chemical methodologies to the LSER. Two new computer programs were also presented dealing with the prediction of solutesolvent properties. The first, QSAR, is a compilation and thesaurus of quantitative structure activity relationships QSAR compiled over the years. The second, SPARC, is an attempt to provide relevant, accurate predictions of properties for EPA related projects.

Subject Categories:

  • Inorganic Chemistry
  • Organic Chemistry
  • Physical Chemistry

Distribution Statement:

APPROVED FOR PUBLIC RELEASE