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Volumn 457, Issue 1-3, 2008, Pages 26-30

Potential of mean force calculations using ab initio tight-binding molecular dynamics: Application to N-NO2 bond dissociation in DMNA and HMX

Author keywords

[No Author keywords available]

Indexed keywords

BINDING ENERGY; BOND STRENGTH (CHEMICAL); DISSOCIATION; MOLECULAR ORBITALS; REACTION RATES;

EID: 43549112047     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2008.03.064     Document Type: Article
Times cited : (10)

References (31)
  • 26
    • 43549117783 scopus 로고    scopus 로고
    • M.J. Frisch et al., Gaussian 03, Revision B. Gaussian, Inc., Pittsburgh, PA, 2003.
    • M.J. Frisch et al., Gaussian 03, Revision B. Gaussian, Inc., Pittsburgh, PA, 2003.
  • 28
    • 43549090017 scopus 로고    scopus 로고
    • C.J. Wu, L.E. Fried, The Eleventh International Detonation Symposium, Snowmass, CO, August 31th-September 4th, 1998, 8167.
    • C.J. Wu, L.E. Fried, The Eleventh International Detonation Symposium, Snowmass, CO, August 31th-September 4th, 1998, 8167.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.