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Volumn 72, Issue 19, 2007, Pages 7313-7328

Computational methods in organic thermochemistry. 2. Enthalpies and free energies of formation for functional derivatives of organic hydrocarbons

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTATIONAL METHODS; DERIVATIVES; ENTHALPY; FREE ENERGY; HYDROCARBONS;

EID: 34548725512     PISSN: 00223263     EISSN: None     Source Type: Journal    
DOI: 10.1021/jo071213a     Document Type: Article
Times cited : (37)

References (69)
  • 1
    • 34548744606 scopus 로고    scopus 로고
    • Afeefy, H. Y.; Liebman, J. F.; Stein, S. E. Neutral Thermochemical Data. In NIST Chemistry WebBook; Linstrom, P. J., Mallard, W. G., Eds.; NIST Standard Reference Database No. 69; National Institute of Standards and Technology, Gaithersburg, MD, June 2005 (http://webbook.nist.gov).
    • Afeefy, H. Y.; Liebman, J. F.; Stein, S. E. Neutral Thermochemical Data. In NIST Chemistry WebBook; Linstrom, P. J., Mallard, W. G., Eds.; NIST Standard Reference Database No. 69; National Institute of Standards and Technology, Gaithersburg, MD, June 2005 (http://webbook.nist.gov).
  • 2
    • 34548709087 scopus 로고    scopus 로고
    • NIST Computational Chemistry Comparison and Benchmark Database; Johnson, R. D., III, Ed.; NIST Standard Reference Database No. 101, Release 11, May 2005 (http://srdata.nist.gov/cccbdb).
    • NIST Computational Chemistry Comparison and Benchmark Database; Johnson, R. D., III, Ed.; NIST Standard Reference Database No. 101, Release 11, May 2005 (http://srdata.nist.gov/cccbdb).
  • 16
    • 34548744031 scopus 로고    scopus 로고
    • Gaussian 98, Revision A.11.3, M. J. Frisch, et al. Complete citation is found in the Supporting Information.
    • Gaussian 98, Revision A.11.3, M. J. Frisch, et al. Complete citation is found in the Supporting Information.
  • 17
    • 34548734192 scopus 로고    scopus 로고
    • Gaussian 03, Revision D.02; M. J. Frisch, et al. Complete citation is found in the Supporting Information.
    • Gaussian 03, Revision D.02; M. J. Frisch, et al. Complete citation is found in the Supporting Information.
  • 19
    • 34548757370 scopus 로고    scopus 로고
    • For example, 2,2-dimethylhexane has two rotatable bonds and 2,4-dimethylhexane has one
    • For example, 2,2-dimethylhexane has two rotatable bonds and 2,4-dimethylhexane has one.
  • 41


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.