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Volumn 100, Issue 23, 1996, Pages 9714-9725

Rational design of molecules with large hyperpolarizabilities. Electric field, solvent polarity, and bond length alternation effects on merocyanine dye linear and nonlinear optical properties

Author keywords

[No Author keywords available]

Indexed keywords

CALCULATIONS; DESIGN; ELECTRIC FIELD EFFECTS; ELECTRONIC PROPERTIES; MATHEMATICAL MODELS; MOLECULAR DYNAMICS; MOLECULES; NONLINEAR OPTICS; OPTICAL PROPERTIES;

EID: 0030572339     PISSN: 00223654     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp960860v     Document Type: Article
Times cited : (225)

References (98)
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    • (b) Burland, D. R., Ed. Chem. Rev. 1994, 94 (dedicated to nonlinear optics).
    • (1994) Chem. Rev. , vol.94
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    • Marder, S. R., Sohn, J. E. Stucky, G. D., Eds.; ACS Symposium Series; 455; American Chemical Society: Washington, DC
    • Marder, S. R., Sohn, J. E. Stucky, G. D., Eds.; Materials for Nonlinear Optics: Chemical Perspectives; ACS Symposium Series; 455; American Chemical Society: Washington, DC, 1991.
    • (1991) Materials for Nonlinear Optics: Chemical Perspectives
  • 22
    • 0004096338 scopus 로고
    • Keiss, H., Ed.; Springer Series in Solid State Sciences 102; Springer: Berlin
    • (a) Rehwald, W.; Keiss, H. G. In Conjugated Conducting Polymers; Keiss, H., Ed.; Springer Series in Solid State Sciences 102; Springer: Berlin, 1992.
    • (1992) Conjugated Conducting Polymers
    • Rehwald, W.1    Keiss, H.G.2
  • 33
    • 84962405704 scopus 로고
    • (d) Dähne, S. Z. Chem. 1975, 75, 355.
    • (1975) Chem. , vol.75 , pp. 355
    • Dähne, S.Z.1
  • 37
    • 0000749424 scopus 로고
    • (h) Dähne, S. Chimia 1991, 45, 288.
    • (1991) Chimia , vol.45 , pp. 288
    • Dähne, S.1
  • 41
    • 70449687636 scopus 로고
    • Z. Phys. 1932, 72, 310.
    • (1932) Z. Phys. , vol.72 , pp. 310
  • 47
    • 84962383753 scopus 로고    scopus 로고
    • note
    • (c) The parameters used in the INDO geometry optimizations are different from the parameters used in the INDO electronic structure calculations, the main difference being in the choice of the two electron integrals. In the geometry optimization these integrals are theoretically calculated, and in the electronic structure calculations these are parametrized using the Ohno-Klopmann approximation.
  • 49
    • 84962404972 scopus 로고    scopus 로고
    • note
    • 34,52
  • 64
    • 84962413322 scopus 로고    scopus 로고
    • All the equations describing the first- and second-order correction vectors and the NLO coefficients are written in au for convenience
    • (b) All the equations describing the first- and second-order correction vectors and the NLO coefficients are written in au for convenience,
  • 65
    • 84962381987 scopus 로고    scopus 로고
    • note
    • 0e + ω)|e〉 where e is the configuration used in the CI calculation.
  • 94
    • 0000623401 scopus 로고
    • The μβ(0) is estimated from the EFISH measurement of the SHG coefficient at a laser frequency of 1907 nm using the two-state model for the SHG coefficient
    • Bourhill, G.; Brédas, J.-L.; Cheng, L.-T.; Marder, S. R.; Meyers, F.; Perry, J. W.; Tiemann, B. G. J. Am. Chem. Soc. 1994, 116, 2619. The μβ(0) is estimated from the EFISH measurement of the SHG coefficient at a laser frequency of 1907 nm using the two-state model for the SHG coefficient.
    • (1994) J. Am. Chem. Soc. , vol.116 , pp. 2619
    • Bourhill, G.1    Brédas, J.-L.2    Cheng, L.-T.3    Marder, S.R.4    Meyers, F.5    Perry, J.W.6    Tiemann, B.G.7


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.