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Volumn 118, Issue 5, 2003, Pages 2135-2152

Semiclassical calculation of thermal rate constants in full Cartesian space: The benchmark reaction D+H2 → DH + H

Author keywords

[No Author keywords available]

Indexed keywords

DEGREES OF FREEDOM (MECHANICS); INTERPOLATION; LOW TEMPERATURE EFFECTS; MATHEMATICAL OPERATORS; QUANTUM THEORY; RATE CONSTANTS;

EID: 0037326572     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1533081     Document Type: Article
Times cited : (59)

References (65)
  • 1
    • 0003770193 scopus 로고    scopus 로고
    • edited by R. E. Wyatt and J. Z. H. Zhang (Marcel Dekker, New York)
    • Dynamics of Molecules and Chemical Reactions, edited by R. E. Wyatt and J. Z. H. Zhang (Marcel Dekker, New York, 1996).
    • (1996) Dynamics of Molecules and Chemical Reactions
  • 45
    • 0003692531 scopus 로고    scopus 로고
    • edited by B. J. Berne, G. Ciccotti, and D. F. Coker (World Scientific, Singapore)
    • Classical and Quantum Dynamics in Condensed Phase Simulations, edited by B. J. Berne, G. Ciccotti, and D. F. Coker (World Scientific, Singapore, 1998).
    • (1998) Classical and Quantum Dynamics in Condensed Phase Simulations
  • 54
    • 0013377275 scopus 로고    scopus 로고
    • note
    • H2(T) represents the partition function in Eq. (3.4).
  • 55
    • 0013421205 scopus 로고    scopus 로고
    • note
    • -βT/2P that acts a coherent state generates a weak damping factor for the momentum and makes the integrand less oscillatory (Refs. 21, 22).


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.