A transferable intermolecular potential for nitramine crystals /

We have analyzed the transferability of a previously proposed Buckingham repulsion.dispersion intermolecular potential for the explosive hexahydro-l,3,5-s-trinitro-l,3,5-s-triazine (RDX) (Sorescu, D. C., B. M. Rice, and D. L. Thompson, Journal of physical Chemistry B, vol. 101, p. 798, 1997) to pred...

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Bibliographic Details
Main Author:	Sorescu, Dan C.
Corporate Authors:	U.S. Army Research Laboratory, Oklahoma State University. Department of Chemistry
Other Authors:	Rice, Betsy M., Thompson, Donald L. (Donald Leo)
Format:	Government Document eBook
Language:	English
Published:	Aberdeen Proving Ground, MD : Army Research Laboratory, [2000]
Series:	ARL/TR (U.S. Army Research Laboratory (Aberdeen Proving Ground, Md.)) ; 2372.
Subjects:	Explosives. Nitroamines. Crystals. Physical chemistry. Ammunition and Explosives. Crystal structure. Nitramines. Molecule molecule interactions. Energetic properties. Rdx. Electrostatic charge. Hmx. Hartree fock approximation. INTERMOLECULAR POTENTIAL SERDP(STRATEGIC ENVIRONMENTAL RESEARCH AND DEVELOPMENT PRGRAM) MOLECULAR PACKING PE62261A
Online Access:	https://purl.fdlp.gov/GPO/gpo89

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Call Number:		D 101.133:2372

D 101.133:2372	Available