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Volumn 108, Issue 42, 2004, Pages 9294-9301

Solvent effects on electronic transitions of highly dipolar dyes: A comparison of three approaches

Author keywords

[No Author keywords available]

Indexed keywords

DIPOLAR DYES; ELECTRONIC TRANSITIONS; POLAR SOLUTES; SOLVATOCHROMISM;

EID: 7444270887     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp0486088     Document Type: Article
Times cited : (77)

References (51)
  • 1
    • 0004177513 scopus 로고    scopus 로고
    • The Royal Society of Chemistry: Cambridge, UK
    • Suppan, P.; Ghoneim, N. Solvatochromism; The Royal Society of Chemistry: Cambridge, UK, 1997.
    • (1997) Solvatochromism
    • Suppan, P.1    Ghoneim, N.2
  • 32
    • 7544245350 scopus 로고    scopus 로고
    • note
    • 2 = 0.991.
  • 34
    • 7544243114 scopus 로고    scopus 로고
    • note
    • 0 = 26.98(0.04); s = -1.74(0.08); a = -0.62(0.08)
  • 41
    • 7544227593 scopus 로고    scopus 로고
    • note
    • Calculations were performed with the AM1 semiempirical Hamiltonian and a CI of ∼400 configurations based on selected excitations from an active space of 10 orbitals surrounding the HOMO-LUMO gap, using the AMPAC program suite (AMPAC, 6.55, Semichem Inc., 7128 Summit, Shawnee, KS 66216, 1999).


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.