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Volumn 95, Issue 5, 1991, Pages 3191-3197

Optical spectra and structure of oligomeric models of polyparaphenylenevinylene

Author keywords

[No Author keywords available]

Indexed keywords

PHYSICAL CHEMISTRY; PHYSICS;

EID: 36449003107     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.460875     Document Type: Article
Times cited : (170)

References (30)
  • 17
    • 0000572163 scopus 로고
    • Our results do not agree with those presented by Obrzut et al. )] who reported that their MNDO calculations gave a coplanar structure of trans-stilbene. We cannot suggest any possible justification for this discrepancy. We notice that the authors put many constrains in the geometry minimization, while we have only kept fixed the C-H bond lengths and the planarity of each benzene ring.
    • (1987) J. Chem. Phys. , vol.87 , pp. 2349
    • Obrzut, J.1    Karasz, F.E.2
  • 18
    • 0001376680 scopus 로고
    • Other independent MNDO calculations on trans-stilbene have been presented reporting a strongly twisted conformation (70.6°) The same authors discuss the impossibility for these kinds of semiempirical calculations to yield a planar equilibrium structure.
    • (1988) J. Chem. Phys. , vol.88 , pp. 7030
    • Troe, J.1    Weitzel, K.M.2
  • 24
    • 84953820811 scopus 로고    scopus 로고
    • We make the reasonable assumption here that in the solid, at room temperature and at normal pressure, intermolecular interactions between π electrons are negligible.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.