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Volumn 110, Issue 9, 1999, Pages 4268-4275

Flexing analysis of ethane internal rotation energetics

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[No Author keywords available]

Indexed keywords


EID: 0001220485     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.478310     Document Type: Article
Times cited : (78)

References (29)
  • 2
    • 33947347962 scopus 로고
    • J. D. Kemp and K. S. Pitzer, J. Chem. Phys. 4, 749 (1936); J. Am. Chem. Soc. 59, 276 (1937).
    • (1937) J. Am. Chem. Soc. , vol.59 , pp. 276
  • 15
    • 0000606491 scopus 로고    scopus 로고
    • (b) ibid. 107, 5422 (1997).
    • (1997) J. Chem. Phys. , vol.107 , pp. 5422
  • 26
    • 85034530767 scopus 로고    scopus 로고
    • Ref. 3 using Eq. (1)
    • deloc than obtained by Brunck and Weinhold (Ref. 3) using Eq. (1).
    • Brunck1    Weinhold2
  • 28
    • 85034542958 scopus 로고    scopus 로고
    • note
    • In both PNBO and NBO energy calculations the methyl groups were constrained to their E or S optimized geometries.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.