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Volumn 42, Issue 15, 1990, Pages 9458-9471

Empirical potential for hydrocarbons for use in simulating the chemical vapor deposition of diamond films

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Indexed keywords


EID: 33644817086     PISSN: 01631829     EISSN: None     Source Type: Journal    
DOI: 10.1103/PhysRevB.42.9458     Document Type: Article
Times cited : (3907)

References (77)
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    • and references therein.
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    • and references therein.
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    • D. J. Oh and R. A. Johnson, in Ref. 29, p. 51.
  • 38
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    • and references therein.
  • 47
    • 84926596713 scopus 로고    scopus 로고
    • L. Pauling. The Nature of the Chemical Bond (Cornell University Press, Ithaca, 1960), 3rd ed.
  • 48
    • 84926548679 scopus 로고    scopus 로고
    • G. N. Lewis and M. Randall, Thermodynamics (McGraw-Hill, New York, 1961), 2nd ed., appendix A7-8, p. 682.
  • 52
    • 84926591924 scopus 로고    scopus 로고
    • The additive bond energies determined here should not be confused with bond dissociation energies which measure energy differences between two fragments after a bond is broken. Bond dissociation energies for carbon-hydrogen bonds differ depending on the number of hydrogen atoms bonded to the carbon atom (see Ref. 53). Also, in more-elaborate least-squares-fitting schemes has been shown that single carbon-carbon bond energies differ depending on the number of hydrogen atoms attached to the carbon centers, although the differences are relatively small (see Ref. 52). Given uncertainties in the empirical potential function, the assumption of constant carbon-carbon single bond energies and the neglect of zero-point energy does not introduce significant error.
  • 58
    • 84926608911 scopus 로고    scopus 로고
    • J. E. Huheey, Inorganic Chemistry (Harper and Row, New York, 1978), 2nd ed. p. 197.
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    • and references therein.
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    • and references therein.
  • 72
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    • D. W. Brenner, unpublished. The energy of a different reconstruction that was erroneously reported as the pi-bonded chain was given in Ref. 29.
  • 74
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    • A. V. Hamza, G. D. Kubiak, and R. H. Stulen, unpublished.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.