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Volumn 100, Issue 45, 1996, Pages 17740-17755

Quantum functional sensitivity analysis of the D + H2 reaction rate coefficient via the separable rotation approximation

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Indexed keywords


EID: 0010872198     PISSN: 00223654     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp9618690     Document Type: Article
Times cited : (5)

References (53)
  • 13
    • 33748605253 scopus 로고
    • Ph.D. Thesis, University of Toronto, Toronto, Ontario, Canada
    • Ridley, B. A. Ph.D. Thesis, University of Toronto, Toronto, Ontario, Canada, 1968.
    • (1968)
    • Ridley, B.A.1
  • 26
    • 0000398410 scopus 로고
    • The SRA is also similar to the modified wavenumber approximation of atomic physics. For this perspective, see: Takayanagi, K. Prog. Theor. Phys. 1952, 8, 497.
    • (1952) Prog. Theor. Phys. , vol.8 , pp. 497
    • Takayanagi, K.1
  • 27
    • 33748615072 scopus 로고    scopus 로고
    • note
    • Throughout this paper we refer to high/low energy or high/low temperature, which are arbitrary terms. In view of Figure 1 and the temperature range investigated, we shall refer to total energies below 0.4 eV as low energy and above 0.8 eV as high energy. Similarly, temperatures less than or equal to 200 K are low temperatures, and those above 1000 K are high temperatures.
  • 37
    • 33748621390 scopus 로고    scopus 로고
    • note
    • For semantic purposes, the inner (outer) corner of the potential refers to the region on the upper wall of the saddle point where the D-H-H conformation is less (more) compact than the conformation at the top of the barrier. The shoulder regions refer to the opposite locations about halfway down the barrier along the minimum-energy path.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.