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Volumn 376, Issue 1-3, 2010, Pages 1-9

Photodissociation of gaseous propionyl chloride at 248 nm by time-resolved Fourier-transform infrared spectroscopy

Author keywords

FT IR; Photodissociation; Propionyl chloride

Indexed keywords


EID: 78649632960     PISSN: 03010104     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.chemphys.2010.06.016     Document Type: Article
Times cited : (11)

References (36)
  • 32
    • 78649635801 scopus 로고    scopus 로고
    • Note
    • The geometries of reactant and products were obtained at the level of the hybrid density functional theory, B3LYP/6-311G(d,p); the energies were further refined by the coupled cluster CCSD(T)/cc-pVTZ with B3LYP/6-311G(d,p) zero-point energy corrections. The CC bond dissociation energy was estimated from the difference between them. Ab initio calculations are based on the GAUSSIAN98 programs.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.