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Volumn 120, Issue 2, 2004, Pages 731-739

Crossed beams and theoretical studies of the O(3P)+CH4→H+OCH3 reaction excitation function

Author keywords

[No Author keywords available]

Indexed keywords

ALGORITHMS; CHEMICAL REACTIONS; COMBUSTION; COMPUTER SIMULATION; ELECTRON TRANSITIONS; ELECTRONIC DENSITY OF STATES; ELECTRONIC STRUCTURE; HAMILTONIANS; MOLECULAR BEAMS; MOLECULAR DYNAMICS; POTENTIAL ENERGY; PROBABILITY DENSITY FUNCTION;

EID: 0842311636     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1631254     Document Type: Article
Times cited : (72)

References (37)
  • 9
    • 0003703360 scopus 로고
    • (U. S. Government Printing Office, Washington, DC)
    • A. Jursa, U.S. Standard Atmosphere (U. S. Government Printing Office, Washington, DC, 1976).
    • (1976) U.S. Standard Atmosphere
    • Jursa, A.1
  • 17
    • 0042334516 scopus 로고
    • Jet Propulsion Laboratory (California Institute of Technology, Pasadena)
    • NASA Panel for Data Evaluation, Jet Propulsion Laboratory (California Institute of Technology, Pasadena, 1994).
    • (1994) NASA Panel for Data Evaluation
  • 23
    • 0842308665 scopus 로고    scopus 로고
    • note
    • 4.
  • 24
    • 0842308661 scopus 로고
    • Ph.D. thesis, University of California, Berkeley
    • A. M. Wodtke, Ph.D. thesis, University of California, Berkeley, 1986.
    • (1986)
    • Wodtke, A.M.1
  • 29
    • 0842287092 scopus 로고    scopus 로고
    • note
    • Single point calculation at the multireference internally contracted configuration interaction level with a correlation consistent triple zeta basis set using geometries and frequencies calculated at the complete active space self-consistent field level using a double zeta basis set. See Ref. 24.
  • 30
    • 0842265399 scopus 로고    scopus 로고
    • note
    • Single point coupled-cluster calculation including single, double, and a perturbative treatment for triple excitations with an augmented correlation consistent triple zeta basis set using geometries and frequencies calculated at the same ab initio level with a correlation consistent double zeta basis set. See Ref. 25.
  • 31
    • 0842287098 scopus 로고    scopus 로고
    • note
    • 2 component that fragments to m/z = 16 in the ionizer (11% of the signal intensity detected at m/z = 32), thus yielding time-of-flight distributions that represent scattering of O atoms only.
  • 32
    • 0842265406 scopus 로고    scopus 로고
    • note
    • 2CO fragment mostly to m/z = 29. Therefore, we expect the excitation function derived from the experiment to be a faithful representation of the "true" excitation function.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.