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Volumn , Issue 42, 2006, Pages 4416-4418

S3O and S3O+ in the gas phase: Ring and open-chain structures

Author keywords

[No Author keywords available]

Indexed keywords

SULFUR OXIDE;

EID: 33750258020     PISSN: 13597345     EISSN: None     Source Type: Journal    
DOI: 10.1039/b609646h     Document Type: Article
Times cited : (5)

References (27)
  • 3
    • 23644436653 scopus 로고    scopus 로고
    • Structures were fully optimized with B3LYP/6-311 + G(3df). Single point energies were calculated using the coupled-cluster single and double excitation method with a perturbational estimate of the triple excitation [CCSD(T)] approach, 6 and the correlation-consistent valence-polarized set aug-cc-pVTZ. 7 Zero-point energy corrections (B3LYP/6-311 + G(3df)) were added to CCSD(T) energies. The 0 K total energies of the species of interest were corrected to 298 K by adding translational, rotational and vibrational contributions. All calculations were performed using Gaussian 03. 8 The absolute entropies were calculated by standard statistical-mechanistic procedures from scaled harmonic frequencies and moments of inertia relative to B3LYP/6-311 + G(3df) optimized geometries
    • M. W. Wong R. Steudel Chem. Commun. 2005 3712
    • (2005) Chem. Commun. , pp. 3712
    • Wong, M.W.1    Steudel, R.2
  • 19
    • 33750252693 scopus 로고    scopus 로고
    • 34S (Aldrich, 99.5 mol%) was introduced through a direct insertion probe and heated in vacuo at temperatures not exceeding 400 K
    • 34S (Aldrich, 99.5 mol%) was introduced through a direct insertion probe and heated in vacuo at temperatures not exceeding 400 K
  • 24
    • 33750244828 scopus 로고    scopus 로고
    • note
    • + (m/z 66)
  • 27
    • 33750257868 scopus 로고    scopus 로고
    • -1) possibly accounts for the negligible peak at m/z 48
    • -1) possibly accounts for the negligible peak at m/z 48


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.