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Volumn 11, Issue 4, 1999, Pages 855-857

Conformational fingerprints in the IR and Raman spectra of oligoanilines: A combined theoretical and experimental study

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Indexed keywords


EID: 1842520070     PISSN: 08974756     EISSN: None     Source Type: Journal    
DOI: 10.1021/cm981022b     Document Type: Article
Times cited : (15)

References (17)
  • 10
    • 0032003674 scopus 로고    scopus 로고
    • Baker, J.; Jarzecki, A. A.; Pulay, P. J. Phys. Chem. A, 1998, 102, 1412. Note that this new scaling scheme uses universal scaling factors derived from a training set of molecules and does not require any additional scaling factors in the system studied here. Scaling is done in redundant internal coordinates. The scaling factors used are X-X stretch (0.9207), C-H stretch (0.9164), X-X-X bend (1.0144), and torsion (0.9523).
    • (1998) J. Phys. Chem. A , vol.102 , pp. 1412
    • Baker, J.1    Jarzecki, A.A.2    Pulay, P.3
  • 12


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.