Accession Number:

ADA481672

Title:

Computational Chemistry Toolkit for Energetic Materials Design

Descriptive Note:

Conference paper

Corporate Author:

ARMY RESEARCH LAB ABERDEEN PROVING GROUND MD

Report Date:

2006-11-01

Pagination or Media Count:

7.0

Abstract:

A computational chemistry toolkit is presented, demonstrating the ability to predict properties related to performance or hazard of these materials. The purpose of this toolkit is to allow the design and assessment of advanced energetic materials before investing in synthesis. Newly developed methods are presented to treat emerging exotic high-nitrogen systems considered as candidates for insensitive and environmentally-friendly advanced energetic materials.

Subject Categories:

  • Physical Chemistry
  • Numerical Mathematics

Distribution Statement:

APPROVED FOR PUBLIC RELEASE