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Volumn 101, Issue 3, 1997, Pages 423-437

Variable reaction coordinate direct RRKM theory

Author keywords

Chemical kinetics

Indexed keywords


EID: 33646942446     PISSN: 0940483X     EISSN: None     Source Type: Journal    
DOI: 10.1002/bbpc.19971010315     Document Type: Article
Times cited : (34)

References (82)
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    • (1987) Algorithms for Approximation , pp. 194
    • Lancaster, P.1    Salkauskas, K.2
  • 23
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    • ed. by K. Liu and A. Wagner, World Scientific, New Jersey, 1996, Int. Rev. Phys. Chem. submitted
    • S.J. Klippenstein, in: "The Chemical Dynamics and Kinetics of Small Radicals", ed. by K. Liu and A. Wagner, World Scientific, New Jersey, 1996, Int. Rev. Phys. Chem. submitted (1996).
    • (1996) The Chemical Dynamics and Kinetics of Small Radicals
    • Klippenstein, S.J.1
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    • (1991) J. Chem. Phys. , vol.94 , pp. 6469
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    • (1985) J. Chem. Phys. , vol.83 , pp. 3462
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    • ed. by M.N.R. Ashfold and J.E. Baggott, Royal Soc. Chem.
    • W.L. Hase and D.M. Wardlaw, in: "Bimolecular Collisions", p. 171, ed. by M.N.R. Ashfold and J.E. Baggott, Royal Soc. Chem., 1989.
    • (1989) Bimolecular Collisions , pp. 171
    • Hase, W.L.1    Wardlaw, D.M.2
  • 46
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    • note
    • A closely related VRC approach has recently been described for the canonical partition functions, in: S.H. Robertson, A.F. Wagner, and D.M. Wardlaw, Disc. Faraday Soc. in press (1996). In this approach the locations of the fixed points are obtained via numerical minimization techniques and the phase space integrals reduce to configurational integrals which are evaluated via standard numerical quadratures.
  • 82
    • 33646897149 scopus 로고    scopus 로고
    • The COMSD values of Ref. [19] require no revision since the locations of the fixed points are inherently at the centers-of-mass of the fragments.
    • The COMSD values of Ref. [19] require no revision since the locations of the fixed points are inherently at the centers-of-mass of the fragments.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.