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Volumn 6, Issue 10, 2005, Pages 2075-2085

Experimental and computational studies of the phenyl radical reaction with propyne

Author keywords

Ab initio calculations; Gas phase reactions; Kinetics; Phenyl; Propyne

Indexed keywords

ADDITION REACTIONS; CALCULATIONS; COMPUTATION THEORY; ENZYME KINETICS; GASES; KINETICS; LIGHT MEASUREMENT; PHASE INTERFACES; QUANTUM CHEMISTRY;

EID: 27144495409     PISSN: 14394235     EISSN: None     Source Type: Journal    
DOI: 10.1002/cphc.200500088     Document Type: Article
Times cited : (25)

References (71)
  • 30
    • 27144437362 scopus 로고    scopus 로고
    • see ref. [16]
    • Radicals 1-2 have cis-trans isomers, which can easily interchange (see ref. [16]). For the purposes of this study, they are considered indistinguishable.
  • 48
    • 27144534616 scopus 로고    scopus 로고
    • note
    • This procedure is analogous to the IRCMax calculation in Gaussian 03, except that here the higher-level single-point energy calculations were carried out in MOLPRO 2002.
  • 68
    • 27144440622 scopus 로고    scopus 로고
    • note
    • 3 torsional motion.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.