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Volumn 117, Issue 4, 2002, Pages 1775-1785

A model for mechanochemical transformations: Applications to molecular hardness, instabilities, and shock initiation of reaction

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL BONDS; DECOMPOSITION; DEFECTS; DEGREES OF FREEDOM (MECHANICS); GROUND STATE; HARDNESS; MOLECULES; SHOCK WAVES; STRAIN;

EID: 0037158149     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1485968     Document Type: Article
Times cited : (99)

References (60)
  • 13
    • 0005679913 scopus 로고    scopus 로고
    • (1996) Science , vol.274 , pp. 65
  • 49
    • 0005650106 scopus 로고    scopus 로고
    • for tables giving the optimized geometry bond lengths and angles for RDX, the atomic Hellman-Feynman forces for a positively and a negatively charged RDX molecule in a Cartesian system, the RDX nuclear hardness and nuclear reactivity indices, the calculated RDX vibrational mode frequencies and their symmetries, and the RDX normal modes that contribute most to the molecule's intramolecular deformation energy and hardness renormalization. This document may be retrieved via the EPAPS homepage or from ftp.aip.org in the directory/epaps/. See the EPAPS homepage for more information
    • EPAPS Document No. E-JCPSA6-17-511228


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.