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Volumn 99, Issue 2, 1998, Pages 124-134

Some organic and organometallic molecules with remarkably large second hyperpolarizabilities

Author keywords

Hyperpolarizabilities; Nonlinear optical materials; Polarizabilities

Indexed keywords


EID: 0032369654     PISSN: 1432881X     EISSN: None     Source Type: Journal    
DOI: 10.1007/s002140050314     Document Type: Article
Times cited : (12)

References (83)
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    • note
    • nH, while the polymer (CH)∞ is called polyacetylene [2, 6d]
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    • Seiler FJ Research laboratory of the United States Air Force Academy, Colorado Springs, CO80840-6528
    • (b) MOPAC 6.00. Stewart JJP (1990) Seiler FJ Research laboratory of the United States Air Force Academy, Colorado Springs, CO80840-6528
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    • Stewart, J.J.P.1
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    • (d) Thiel W (1996) In: Prigogine I, Rice SA (eds) Advances in chemical physics, vol XCIII. Wiley-Interscience, New York p 703
    • (1996) Advances in Chemical Physics , vol.93 , pp. 703
    • Thiel, W.1
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    • (c) Stewart JJP (1989) J Comp Chem 10: 209: (1989) J Comp Chem 10: 221
    • (1989) J Comp Chem , vol.10 , pp. 221
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    • 85033898404 scopus 로고    scopus 로고
    • note
    • -3
  • 61
    • 0039012947 scopus 로고
    • The cited value has been taken by extrapolation to ω = 0
    • Shelton DP ( 1985) J Opt Soc Am B, 2: 1880. The cited value has been taken by extrapolation to ω = 0
    • (1985) J Opt Soc Am B , vol.2 , pp. 1880
    • Shelton, D.P.1
  • 67
    • 85033901464 scopus 로고    scopus 로고
    • note
    • 6h), optimized with three different methods. MNDO: R(C-C) = 1.463 Å R(Li-Li) = 3.011 Å R(C-Li) = 1.891 Å PM3: R(C-C) = 1.415 Å R(Li-Li) = 3.101 Å R(C-Li) = 2.004 Å SCF/TZP[26a] R(C-C) = 1.415 Å R(Li-Li) = 3.018 Å R(C-Li) = 1.927 Å
  • 68
    • 85033879531 scopus 로고    scopus 로고
    • note
    • (d) The basis set STO-3G*+ involves the basic set STO-3G extended with polarization (d for Li and C) and diffuse functions (sp for Li and C) [27a]
  • 73
    • 85033872035 scopus 로고    scopus 로고
    • note
    • (e) The noted inadequacy is due to that "the same number of basis orbitals are used to describe the small valence electron density on the lithium cation and the much larger valence density associated anion" [27d]


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.