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Volumn 118, Issue 9, 2003, Pages 3956-3965

Analytic ab initio determination of the IR intensities in stereoregular polymers

Author keywords

[No Author keywords available]

Indexed keywords

CRYSTAL ORIENTATION; INFRARED SPECTROSCOPY; MOLECULAR VIBRATIONS; NUMERICAL ANALYSIS; OLIGOMERS; ORGANIC POLYMERS; STEREOCHEMISTRY;

EID: 0037342005     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1540616     Document Type: Article
Times cited : (14)

References (33)
  • 18
    • 0012456711 scopus 로고    scopus 로고
    • note
    • p.n(k)), although this is not a requirement.
  • 19
    • 0004323437 scopus 로고    scopus 로고
    • Department of Chemistry, University of Ottawa, Ottawa, Canada
    • F. Gu, Periodic program package, Department of Chemistry, University of Ottawa, Ottawa, Canada.
    • Periodic Program Package
    • Gu, F.1
  • 20
    • 0012463907 scopus 로고    scopus 로고
    • a CO code for evaluating the properties of stereo-regular polymers
    • D. Jacquemin, DJPol, a CO code for evaluating the properties of stereo-regular polymers, 2001.
    • (2001) DJPol
    • Jacquemin, D.1
  • 21
    • 0012439230 scopus 로고    scopus 로고
    • note
    • By IR intensities, one generally means of the derivatives of the dipole moment with respect to the normal mode coordinates. In practice, these intensities are a combination of the derivatives with respect to Cartesian coordinates. By extension, we therefore use the term IR intensities for the derivatives of the dipole moment with respect to Cartesian coordinates.
  • 24
    • 0012416155 scopus 로고    scopus 로고
    • note
    • n(k).
  • 25
    • 0012463908 scopus 로고    scopus 로고
    • This value corresponds to nn, the number of neighbors of the BGK paper
    • This value corresponds to nn, the number of neighbors of the BGK paper.
  • 29
    • 0012411571 scopus 로고    scopus 로고
    • They use the Simpson integration scheme for the Q matrix
    • They use the Simpson integration scheme for the Q matrix.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.