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Volumn 108, Issue 15, 2004, Pages 3006-3015

Alcohols, Ethers, Carbohydrates, and Related Compounds Part V. 2 The Bohlmann Torsional Effect

Author keywords

[No Author keywords available]

Indexed keywords

BOHLMANN TORSIONAL EFFECT; ELECTRON-ACCEPTING ATOMS; SPECTRAL SHIFT; STRETCHING FREQUENCY;

EID: 2342573018     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp031063h     Document Type: Article
Times cited : (26)

References (29)
  • 7
    • 2342462339 scopus 로고    scopus 로고
    • Chen, K.-H.; Lii, J.-H.; Fan, Y.; Allinger, N. L. To be published
    • Chen, K.-H.; Lii, J.-H.; Fan, Y.; Allinger, N. L. To be published.
  • 8
    • 2342612952 scopus 로고    scopus 로고
    • note
    • It is intended to make the MM4 program available shortly. The UNIX and LINUX versions will be available from Tripos, Inc. (1699 South Hanley Road, St. Louis, MO 63144), and a Windows version will be available from Wavefunction (18401 Von Karmen, Suite 370, Irvine, CA 92715). Interested persons should contact the appropriate distributor directly,
  • 18
    • 0001691884 scopus 로고    scopus 로고
    • Baker, J.; Pulay, P. J. Comput. Chem. 1998, 19, 1187. The general scaling factors reported in this paper (ref 8) were used to scale the Hessian matrix (actually, the square roots of the numbers given in Table 2 in ref 8), where the same numbers are used for oxygen as are given for fluorine. The ref 9 given in ref 8 was unpublished when our calculations were carried out, but Professor Pulay confirmed to us (personal communication) that this was the proper procedure.
    • (1998) J. Comput. Chem. , vol.19 , pp. 1187
    • Baker, J.1    Pulay, P.2
  • 19
    • 2342460387 scopus 로고    scopus 로고
    • note
    • Parametrization of Molecular Mechanics (MM4) for Large Biological Systems: Small Peptides-Emphasis on Protein Modeling Alkylphosphines-Emphasis on DNA Structure, by Patricia Metthe Todebush, a dissertation submitted to the Graduate Faculty of the University of Georgia in partial fulfillment of the requirements for the degree Doctor of Philosophy, Athens, GA, December 7, 2000.
  • 29
    • 2342620809 scopus 로고    scopus 로고
    • Lii, J.-H.; Chen, K.-H.; French, A.; Johnson, G. P.; Allinger, N. L. In preparation
    • Lii, J.-H.; Chen, K.-H.; French, A.; Johnson, G. P.; Allinger, N. L. In preparation.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.