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Volumn 121, Issue 18, 2004, Pages 8800-8813

Thermochemistry of disputed soot formation intermediates C 4H 3 and C 4H 5

Author keywords

[No Author keywords available]

Indexed keywords

COMBUSTION MODELS; COUPLED CLUSTER METHODS; SOOT FORMATION; THERMOCHEMISTRY;

EID: 9744232954     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1787496     Document Type: Article
Times cited : (66)

References (132)
  • 65
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    • These DMC computations only considered relative energies of the E-n-and i-isomers
    • These DMC computations only considered relative energies of the E-n-and i-isomers.
  • 85
    • 9744287212 scopus 로고    scopus 로고
    • note
    • ACESII; J. F. Stanton, J. Gauss, W. J. Lauderdale, J. D. Watts, and R. J. Bartlett. The package also contains modified versions of the MOLECULE Gaussian integral program of J. Almlöf and P. R. Taylor, the ABACUS integral derivative program written by T. U. Helgaker, H. J. Aa. Jensen, P. Jørgensen, and P. R. Taylor, and the PROPS property evaluation integral code of P. R. Taylor.
  • 90
    • 85001790459 scopus 로고    scopus 로고
    • See EPAPS Document No. E-JCPSA6-121-308436 for supplementary coupled-cluster diagnostics, focal point tables, vibrational frequencies, and IR intensities. A direct link to this document may be found in the online article's HTML reference section. The document may also be reached via the EPAPS homepage (http://www.aip.org/pubservs/epaps.html) or from ftp.aip.org in the directory /epaps/. See the EPAPS homepage for more information.
    • EPAPS Homepage
  • 97
    • 9744271978 scopus 로고    scopus 로고
    • C. L. Janssen, I. B. Nielson, M. L. Leininger, E. T. Seidl, and M. E. Colvin. MPQC2.1.4 (Sandia National Laboratories, Livermore, CA, 2002)
    • C. L. Janssen, I. B. Nielson, M. L. Leininger, E. T. Seidl, and M. E. Colvin. MPQC2.1.4 (Sandia National Laboratories, Livermore, CA, 2002).
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    • 9744251834 scopus 로고    scopus 로고
    • note
    • 3, respectively.
  • 117
    • 0001866645 scopus 로고
    • edited by J. G. Zabolitzky, M. de Llano, M. Fortes, and J. W. Clark (Springer, Berlin)
    • D. M. Ceperley, in Recent Progress in Many-Body Theories, edited by J. G. Zabolitzky, M. de Llano, M. Fortes, and J. W. Clark (Springer, Berlin, 1981). p. 262.
    • (1981) Recent Progress in Many-body Theories , pp. 262
    • Ceperley, D.M.1
  • 120
    • 0003981415 scopus 로고    scopus 로고
    • edited by K. B. Lipkowitz and D. B. Boyd (Wiley, New York)
    • J. B. Anderson, in Reviews in Computational Chemistry, edited by K. B. Lipkowitz and D. B. Boyd (Wiley, New York, 1999), Vol. 13, p. 119.
    • (1999) Reviews in Computational Chemistry , vol.13 , pp. 119
    • Anderson, J.B.1
  • 125
    • 9744264268 scopus 로고    scopus 로고
    • note
    • -1.
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    • The chemkin thermodynamic data base
    • UC-4, Sandia National Laboratories, Livermore, CA
    • R. J. Kee, F. M. Rupley, and J. A. Miller, The Chemkin Thermodynamic Data Base, Sandia Technical Report SAND87-8215B, UC-4, Sandia National Laboratories, Livermore, CA (1994).
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    • Kee, R.J.1    Rupley, F.M.2    Miller, J.A.3


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.