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Volumn 97, Issue 10, 1992, Pages 7392-7404

Critical comparison of approximate and accurate quantum-mechanical calculations of rate constants for a model activated reaction in solution

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Indexed keywords


EID: 0001544866     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.463511     Document Type: Article
Times cited : (50)

References (101)
  • 3
    • 0000651090 scopus 로고
    • For examples of critical tests of variational transition-state theory with multidimensional semiclassical transmission coefficients for collinear [inline formula] reactions, see.159
    • (1984) Annu. Rev. Phys. Chem. , vol.35
    • Truhlar, D.G.1    Garrett, B.C.2
  • 41
    • 85034885083 scopus 로고    scopus 로고
    • see also Ref. 5 and references therein
  • 47
    • 84954052993 scopus 로고
    • Enhancement of quantum tunneling by corner cutting effects induced by reaction-path curvature is well known. For example, see Refs. 13–15, and (a).2609
    • (1977) J. Chem. Phys. , vol.67
    • Marcus, R.A.1    Coltrin, M.E.2
  • 101
    • 84954050540 scopus 로고    scopus 로고
    • The ICVT/SCSAG results do show slight enhancements at very low frictions [inline formula] which are most pronounced for [inline formula] K. These are an artifact of the approximate way the reaction-path curvature is treated in the SCSAG tunneling method. The enhancements are small, typically less than 10%, and well within the aecuraey of this approximate method


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.