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Volumn 528, Issue 1-3, 2000, Pages 95-109

The thermochemistry of TNAZ (1,3,3-trinitroazetidine) and related species: Models for calculating heats of formation

Author keywords

Benson group additivity scheme; Heats of formation; TNAZ(1,3,3 trinitroazetidine)

Indexed keywords

1,3,3 TRINITROAZETIDINE; AZETIDINE DERIVATIVE; FREE RADICAL; NITROALKANE; UNCLASSIFIED DRUG;

EID: 0034714075     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0166-1280(99)00475-3     Document Type: Article
Times cited : (26)

References (36)
  • 3
    • 0007994842 scopus 로고    scopus 로고
    • K.K. Irikura, D.J. Frurip (Eds.), Computational Thermochemistry, ACS Symposium Series 677; American Chemical Society, Washington, DC, pp. 162-175 references cited therein. Two examples of the MP4 model can be found in Appendix C of the same work
    • (1998) , pp. 427-432
    • Zachariah, M.R.1    Melius, C.F.2
  • 5
    • 0007995418 scopus 로고
    • GAUSSIAN 98, Rev A.3, Gaussian Inc., Pittsburgh, PA
    • (1993)
    • Frisch, M.J.1
  • 9
    • 0007902249 scopus 로고    scopus 로고
    • NIST Data Bank
  • 10
    • 0007991577 scopus 로고    scopus 로고
    • Thermochemical Kinetics, 2, Wiley, New York, 1976, pp. 272-284 As reproduced in B.K. Carpenter, Determination of Organic Reaction Mechanisms, Wiley: New York, 1984. Appendix 5. Note that there are several sets Benson parameters in the literature. The original complete scheme appeared in Benson et al., Chem. Rev. 69 (1969) 269 and new, limited revisions in N. Cohen, S.W. Benson, The Chemistry of Alkanes and Cycloalkanes, S. Patai, Z. Rappaport, (Eds.), Wiley: New York, 1992, pp. 215-287 and S.W. Benson, N. Cohen, Computational Thermochemistry, K.K. Irikura, D.J. Frurip, Eds., ACS Symposium Series 677; American Chemical Society, Washington, DC
    • (1998) , pp. 20-46
    • Benson, S.W.1
  • 13
    • 0007894650 scopus 로고
    • I. Hargittai, M. Hargittai (Eds.), Sterochemical Applications of Gas Phase Electron Diffraction, VCH, chap. 2, Part B.
    • (1988)
    • Vilkov, L.V.1    Sadova, N.I.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.