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Volumn 94, Issue 8, 1972, Pages 2625-2633

Structure of Transition States in Organic Reactions. General Theory and an Application to the Cyclobutene-Butadiene Isomerization Using a Semiempirical Molecular Orbital Method

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EID: 0342415826     PISSN: 00027863     EISSN: 15205126     Source Type: Journal    
DOI: 10.1021/ja00763a011     Document Type: Article
Times cited : (934)

References (36)
  • 14
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    • R. K. Preston and J. C. Tully, J. Chem. Phys., 54, 4297 (1971), and references contained therein.
    • (1971) J. Chem. Phys. , vol.54 , pp. 4297
    • Preston, R.K.1    Tully, J.C.2
  • 15
    • 85021560808 scopus 로고    scopus 로고
    • in press. We thank Professor Pople for a preprint
    • J. A. Pople, Int. J. Quantum Chem., in press. We thank Professor Pople for a preprint.
    • Int. J. Quantum Chem.
    • Pople, J.A.1
  • 16
    • 0006155956 scopus 로고
    • and references contained therein
    • R. A. Rouse and A. A. Frost, J. Chem. Phys., 50, 1705 (1969), and references contained therein.
    • (1969) J. Chem. Phys. , vol.50 , pp. 1705
    • Rouse, R.A.1    Frost, A.A.2
  • 25
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    • unpublished results
    • A. Komornicki, unpublished results.
    • Komornicki, A.1
  • 26
  • 29
    • 33947325495 scopus 로고
    • This estimate is based on the recent determination of the heat of formation of cyclobutene by Wiberg and the heat of formation of cis-butadiene corrected by the difference in stability between the cis and trans isomers
    • This estimate is based on the recent determination of the heat of formation of cyclobutene by Wiberg [K. B. Wiberg and R. A. Fenoglio, J. Amer. Chem. Soc., 90, 3395 (1968)], and the heat of formation of cis-butadiene corrected by the difference in stability between the cis and trans isomers.
    • (1968) J. Amer. Chem. Soc. , vol.90 , pp. 3395
    • Wiberg, K.B.1    Fenoglio, R.A.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.