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Volumn 109, Issue 44, 2005, Pages 10106-10120

Computer simulation of the linear and nonlinear optical susceptibilities of p-nitroaniline in cyclohexane, 1,4-dioxane, and tetrahydrofuran in quadrupolar approximation. I. Molecular polarizabilities and hyperpolarizabilities

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTER SIMULATION; CONTINUUM MECHANICS; MOLECULAR VIBRATIONS; NITROGEN COMPOUNDS; NONLINEAR OPTICS; ORGANIC SOLVENTS;

EID: 28144433341     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp052875b     Document Type: Article
Times cited : (32)

References (100)
  • 18
    • 0002044591 scopus 로고
    • Rossiter, B. W., Hamilton, J. F., Eds.; Wiley: New York
    • Baumann, W. in Physical Methods of Chemistry; Rossiter, B. W., Hamilton, J. F., Eds.; Wiley: New York, 1989; Vol. 3B, p 45.
    • (1989) Physical Methods of Chemistry , vol.3 B , pp. 45
    • Baumann, W.1
  • 33
    • 33749636910 scopus 로고
    • 1995, 190, 153 (erratum)
    • Applequist, J. Chem. Phys. 1984, 85, 279; 1995, 190, 153 (erratum).
    • (1984) Chem. Phys. , vol.85 , pp. 279
    • Applequist, J.1
  • 48
    • 28144463139 scopus 로고    scopus 로고
    • note
    • Basis sets were obtained from the Extensible Computational Chemistry Environment Basis Set Database, Version 2/12/03, as developed and distributed by the Molecular Science Computing Facility, Environmental and Molecular Sciences Laboratory, which is part of the Pacific Northwest Laboratory, P.O. Box 999, Richland, WA 99352, U.S.A., and funded by the U.S. Department of Energy. The Pacific Northwest Laboratory is a multiprogram laboratory operated by Battelle Memorial Institue for the U.S. Department of Energy under contract DE-AC06-76RLO 1830. Contact David Feller or Karen Schuchardt for further information.
  • 100
    • 28144448198 scopus 로고    scopus 로고
    • note
    • -3.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.