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Volumn 112, Issue 9, 2000, Pages 3949-3957

A "modified Lennard-Jones oscillator" model for diatom potential functions

Author keywords

[No Author keywords available]

Indexed keywords


EID: 0000184546     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.480946     Document Type: Article
Times cited : (86)

References (63)
  • 2
  • 32
    • 0002531683 scopus 로고
    • Intermolekular Forces
    • edited by J. O. Hirschfelder Interscience, New York
    • J. O. Hirschfelder and W. J. Meath, in Intermolekular Forces, Vol. 12 of Adv. Chem. Phys., edited by J. O. Hirschfelder (Interscience, New York, 1967), pp. 3-106.
    • (1967) Adv. Chem. Phys. , vol.12 , pp. 3-106
    • Hirschfelder, J.O.1    Meath, W.J.2
  • 33
    • 0042922396 scopus 로고
    • edited by R. Barrow Chemical Society of London, London, Specialist Periodical Report 3
    • R. J. Le Roy, in Molecular Spectroscopy, edited by R. Barrow (Chemical Society of London, London, 1973), Vol. 1, Specialist Periodical Report 3, pp. 113-176.
    • (1973) Molecular Spectroscopy , vol.1 , pp. 113-176
    • Le Roy, R.J.1
  • 43
    • 85037514353 scopus 로고    scopus 로고
    • note
    • It would of course have been better to perform weighted fits, since different points on empirical or ab initio potentials may be expected to have different uncertainties. However, while the uncertainties in RKR turning points due to the uncertainties in the molecular constants determining them can be calculated (Ref. 41), and the calculation of uncertainties in fitted analytic potentials (or IPA potential correction functions) is quite straightforward (Ref. 42), these methods have seen almost no use in practice (except in Ref. 42). Thus, without repeating the data analyses which yielded the potentials used herein, proper unequal weights could not be obtained.
  • 49
    • 85037499081 scopus 로고    scopus 로고
    • M.Sc. Thesis, Department of Chemistry, University of Waterloo
    • J. Y. Seto, M.Sc. Thesis, Department of Chemistry, University of Waterloo (2000).
    • (2000)
    • Seto, J.Y.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.