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Volumn 100, Issue 21, 1996, Pages 8763-8769

Systematic comparison of experimental, quantum mechanical, and molecular mechanical bond lengths for organic molecules

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Indexed keywords


EID: 33751058027     PISSN: 00223654     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp953630+     Document Type: Article
Times cited : (141)

References (19)
  • 2
  • 3
    • 0024821263 scopus 로고
    • Molecular Mechanics. the MM3 Force Field for Hydrocarbons I, II, and III
    • and subsequent papers. The MM3 program is available to commercial users only from Tripos Associates, 1699 South Hanley Road, St. Louis, MO 63144, and to academic users only from the Quantum Chemistry Program Exchange, Indiana University, Bloomington, IN 47405. The MM4 program will be available shortly from the same sources
    • Allinger, N. L. Yuh, Y. H.; Lu, J.-H. Molecular Mechanics. The MM3 Force Field for Hydrocarbons I, II, and III. J. Am. Chem. Soc. 1989, 111, 8551-8582, and subsequent papers. The MM3 program is available to commercial users only from Tripos Associates, 1699 South Hanley Road, St. Louis, MO 63144, and to academic users only from the Quantum Chemistry Program Exchange, Indiana University, Bloomington, IN 47405. The MM4 program will be available shortly from the same sources.
    • (1989) J. Am. Chem. Soc. , vol.111 , pp. 8551-8582
    • Allinger, N.L.1    Yuh, Y.H.2    Lu, J.-H.3
  • 10
    • 0001869942 scopus 로고
    • Schaefer, H. F., Ed.; Plenum Press: New York
    • Dunning, T. H.; Hay, P. J. In Modem Theoretical Chemistry; Schaefer, H. F., Ed.; Plenum Press: New York, 1977; Vol 3, pp 1-27.
    • (1977) Modem Theoretical Chemistry , vol.3 , pp. 1-27
    • Dunning, T.H.1    Hay, P.J.2
  • 15
    • 0003856812 scopus 로고
    • Kuchitsu, K., Ed.; SpringerVerlag: Berlin
    • All experimental data, except indicated otherwise, are cited from: Structure Data of Polyatomic Molecules; Kuchitsu, K., Ed.; SpringerVerlag: Berlin, 1992.
    • (1992) Structure Data of Polyatomic Molecules


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.