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Volumn 277, Issue 4, 1997, Pages 311-320

A reinvestigation of singlet benzyne thermochemistry predicted by CASPT2, coupled-cluster and density functional calculations

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EID: 0031563676     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0009-2614(97)00855-5     Document Type: Article
Times cited : (170)

References (38)
  • 15
    • 0001247645 scopus 로고
    • Experimental vibrational frequencies: benzene
    • [15] Experimental vibrational frequencies: benzene: M. Dang-Nhu, J. Pliva, J. Mol. Spectrosc. 138 (1989) 423; phenyl radical: J.G. Radziszewski, M.R. Nimlos, P.R. Winter, G.B. Ellison, J. Am. Chem. Soc. 118 (1996) 7400; o-benzyne: J.G. Radziszewski, B.A. Hess Jr., R. Zahradnik, J. Am. Chem. Soc. 112 (1992) 52; ethylene and acetylene: T. Shimanouchi, Tables of Molecular Vibrational Frequencies, Consolidated Volume 1, NSRDS-NBS (1972) 39.
    • (1989) J. Mol. Spectrosc. , vol.138 , pp. 423
    • Dang-Nhu, M.1    Pliva, J.2
  • 16
    • 0029777487 scopus 로고    scopus 로고
    • phenyl radical
    • [15] Experimental vibrational frequencies: benzene: M. Dang-Nhu, J. Pliva, J. Mol. Spectrosc. 138 (1989) 423; phenyl radical: J.G. Radziszewski, M.R. Nimlos, P.R. Winter, G.B. Ellison, J. Am. Chem. Soc. 118 (1996) 7400; o-benzyne: J.G. Radziszewski, B.A. Hess Jr., R. Zahradnik, J. Am. Chem. Soc. 112 (1992) 52; ethylene and acetylene: T. Shimanouchi, Tables of Molecular Vibrational Frequencies, Consolidated Volume 1, NSRDS-NBS (1972) 39.
    • (1996) J. Am. Chem. Soc. , vol.118 , pp. 7400
    • Radziszewski, J.G.1    Nimlos, M.R.2    Winter, P.R.3    Ellison, G.B.4
  • 17
    • 0001247645 scopus 로고
    • o-benzyne
    • [15] Experimental vibrational frequencies: benzene: M. Dang-Nhu, J. Pliva, J. Mol. Spectrosc. 138 (1989) 423; phenyl radical: J.G. Radziszewski, M.R. Nimlos, P.R. Winter, G.B. Ellison, J. Am. Chem. Soc. 118 (1996) 7400; o-benzyne: J.G. Radziszewski, B.A. Hess Jr., R. Zahradnik, J. Am. Chem. Soc. 112 (1992) 52; ethylene and acetylene: T. Shimanouchi, Tables of Molecular Vibrational Frequencies, Consolidated Volume 1, NSRDS-NBS (1972) 39.
    • (1992) J. Am. Chem. Soc. , vol.112 , pp. 52
    • Radziszewski, J.G.1    Hess B.A., Jr.2    Zahradnik, R.3
  • 18
    • 0001247645 scopus 로고
    • ethylene and acetylene
    • [15] Experimental vibrational frequencies: benzene: M. Dang-Nhu, J. Pliva, J. Mol. Spectrosc. 138 (1989) 423; phenyl radical: J.G. Radziszewski, M.R. Nimlos, P.R. Winter, G.B. Ellison, J. Am. Chem. Soc. 118 (1996) 7400; o-benzyne: J.G. Radziszewski, B.A. Hess Jr., R. Zahradnik, J. Am. Chem. Soc. 112 (1992) 52; ethylene and acetylene: T. Shimanouchi, Tables of Molecular Vibrational Frequencies, Consolidated Volume 1, NSRDS-NBS (1972) 39.
    • (1972) Tables of Molecular Vibrational Frequencies, Consolidated Volume 1, NSRDS-NBS , pp. 39
    • Shimanouchi, T.1
  • 27
    • 85033095098 scopus 로고    scopus 로고
    • personal communication of unpublished results described in Ref. [5]
    • [24] D. Hrovat, W.T. Borden, personal communication of unpublished results described in Ref. [5].
    • Hrovat, D.1    Borden, W.T.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.