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Volumn 10, Issue 2, 2008, Pages 245-248

A computational study of the formation and dimerization of benzothiet-2-one

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EID: 38749122496     PISSN: 15237060     EISSN: None     Source Type: Journal    
DOI: 10.1021/ol702628v     Document Type: Article
Times cited : (11)

References (42)
  • 7
    • 33748535256 scopus 로고    scopus 로고
    • 2nd ed, John Wiley & Sons: New York
    • (a) Tidwell, T. T. Ketenes, 2nd ed.; John Wiley & Sons: New York, 2006.
    • (2006) Ketenes
    • Tidwell, T.T.1
  • 33
    • 38749092875 scopus 로고    scopus 로고
    • All structures were optimized at the B3LYP/6-31G(d,p) level of theory using Gaussian 03, revision C.02 (see Supporting Information for full citation),
    • (a) All structures were optimized at the B3LYP/6-31G(d,p) level of theory using Gaussian 03, revision C.02 (see Supporting Information for full citation),
  • 35
    • 33748545144 scopus 로고
    • All structures were characterized as minima or transition states by frequency calculations. All relative energies discussed in the text include unsealed zero-point vibrational energy corrections. Further computational details are provided in the Supporting Information
    • (c) Hariharan, P. C.; Pople, J. A. Theor. Chim. Acta 1973, 28, 213. All structures were characterized as minima or transition states by frequency calculations. All relative energies discussed in the text include unsealed zero-point vibrational energy corrections. Further computational details are provided in the Supporting Information.
    • (1973) Theor. Chim. Acta , vol.28 , pp. 213
    • Hariharan, P.C.1    Pople, J.A.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.