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Volumn 4, Issue C, 1996, Pages 709-741

Computing transition state structures with density functional theory methods

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EID: 77956710818     PISSN: 13807323     EISSN: None     Source Type: Book Series    
DOI: 10.1016/S1380-7323(96)80101-4     Document Type: Chapter
Times cited : (60)

References (171)
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    • J. B Foresman and Æ. Frisch, Exploring Chemistry with Electronic Structure Methods
    • J. B Foresman and Æ. Frisch, Exploring Chemistry with Electronic Structure Methods:
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    • unpublished results
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    • Jursic, B.S.1
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    • unpublished results
    • B. S. Jursic, unpublished results.
    • Jursic, B.S.1
  • 79
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    • The experimental value for the ethylene addition to 1,3-butadiene is 27.5 kcal/mol. For the estimated activation barrier of 25.1±2 kcal/mol at O K, see 72.
    • The experimental value for the ethylene addition to 1,3-butadiene is 27.5 kcal/mol. For the estimated activation barrier of 25.1±2 kcal/mol at O K, see 72.
  • 84
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    • Kochi J.K. (Ed), Wiley, New York
    • Poutsman M.L. In: Kochi J.K. (Ed). Free Radicals Vol. II (1973), Wiley, New York
    • (1973) Free Radicals , vol.II
    • Poutsman, M.L.1
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    • Kochi J.K. (Ed), Wiley, New York
    • Martin J.C. In: Kochi J.K. (Ed). Free Radicals Vol II (1973), Wiley, New York 493
    • (1973) Free Radicals , vol.II , pp. 493
    • Martin, J.C.1
  • 111
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    • B. S. Jursic, J. Chem. Soc. Prkin Trans. 2 in press.
    • B. S. Jursic, J. Chem. Soc. Prkin Trans. 2 in press.
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    • and references 46-51
    • and references 46-51. Fan L., and Zigler T. J. Am. Chem. Soc. 114 (1992) 10890
    • (1992) J. Am. Chem. Soc. , vol.114 , pp. 10890
    • Fan, L.1    Zigler, T.2
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    • and references therein.
    • and references therein. Kim Y.J. J. Am. Chem. Soc. 118 (1996) 1522
    • (1996) J. Am. Chem. Soc. , vol.118 , pp. 1522
    • Kim, Y.J.1
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    • Bountis T. (Ed), Plenum, New York
    • Scheiner S. In: Bountis T. (Ed). Proton Transfer in Hydrogen Bonded Systems. NATO ASI Series B291 (1992), Plenum, New York 29
    • (1992) NATO ASI Series B291 , pp. 29
    • Scheiner, S.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.