APPLICATIONS OF COMPUTATIONAL CHEMISTRY IN CB DEFENCE

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Authors
  1. Underhill, P.R.
  2. Luoma, G.
Corporate Authors
Defence Research Establishment Suffield, Ralston ALTA (CAN);Nexum Research Corp, Kingston ONT (CAN)
Abstract
DRES has been charged with providing an effective defence for the Canadian Armed Forces against chemical and biological weapons. The report examines the application of computational chemistry to helping the chemical defence thrusts meet their objectives in a more efficient and economical way. To do this, it identifies areas of application and considers how a computational chemistry program could be implemented. The issues surrounding contracting out and developing an in-house program are considered and it is recommended that at least a limited in-house program be established. The report then examines how such a program could best be implemented, including how to most efficiently take advantage of outside expertise. Various resources that could be used to establish this program and help it to rapidly bear fruit are identified inlcuding hardware and software requirements, qualified Canadian contractors, reference material and Internet resources. The report concludes with a summary of recommendations for the implementation of a computational chemistry capability including staffing levels, hardware and software requirements and a ranking of projects according to the likelihood of their successful implementation.
Keywords
Computational chemistry
Report Number
DRES-CR-96-001;TE951101 — Contractor Report (Final)
Date of publication
01 Jan 1996
Number of Pages
59
DSTKIM No
96-01507
CANDIS No
180688
Format(s):
Document Image stored on Optical Disk;Hardcopy

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