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Volumn 143, Issue 10, 2015, Pages

A complete map of the ion chemistry of the naphthalene radical cation? DFT and RRKM modeling of a complex potential energy surface

Author keywords

[No Author keywords available]

Indexed keywords

ACETYLENE; ION SOURCES; IONS; ISOMERS; MOLECULAR PHYSICS; PHOTOELECTRON SPECTROSCOPY; PHOTONS; PLANTS (BOTANY); POSITIVE IONS; POTENTIAL ENERGY; QUANTUM CHEMISTRY; RATE CONSTANTS;

EID: 84941141329     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4930000     Document Type: Article
Times cited : (58)

References (29)
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    • (1970) J. Phys. Chem. , vol.74 , pp. 4161
    • Fukuy, K.1
  • 22
    • 33749166610 scopus 로고    scopus 로고
    • Kinetics of multistep reactions
    • edited by N. J. B. Green (Elsevier B.V, Amsterdam), Vol
    • F. G. Helfferich, " Kinetics of multistep reactions," in Comprehensive Chemical Kinetics, edited by N. J. B. Green (Elsevier B.V, Amsterdam, 2004), Vol. 8, pp. 77-93.
    • (2004) Comprehensive Chemical Kinetics , vol.8 , pp. 77-93
    • Helfferich, F.G.1
  • 23
    • 84941136525 scopus 로고    scopus 로고
    • See for MATHEMATICA, Wolfram Research, Inc., Champaign, IL
    • See http://www.wolfram.com for MATHEMATICA, Wolfram Research, Inc., Champaign, IL.
  • 29
    • 84941095347 scopus 로고    scopus 로고
    • See supplementary material at E-JCPSA6-143-038534 for the general ideas for Python coding of the density-of-states counting, additional RRKM rate constants for the steps in Scheme3(Fig. S1), explicit forms of the rate constants of Fig.4, and a comparison of one of the unimolecular reactions treated with and without a hindered internal rotor (Fig. S2)
    • See supplementary material at http://dx.doi.org/10.1063/1.4930000 E-JCPSA6-143-038534 for the general ideas for Python coding of the density-of-states counting, additional RRKM rate constants for the steps in Scheme3(Fig. S1), explicit forms of the rate constants of Fig.4, and a comparison of one of the unimolecular reactions treated with and without a hindered internal rotor (Fig. S2).


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.