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Volumn 127, Issue 30, 2005, Pages 10611-10622

Optical spectra of delocalized dinitroaromatic radical anions revisited

Author keywords

[No Author keywords available]

Indexed keywords

AROMATIC HYDROCARBONS; BENZENE; ENERGY ABSORPTION; REDOX REACTIONS; SEPARATION;

EID: 23044435384     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja051178u     Document Type: Article
Times cited : (70)

References (32)
  • 7
    • 33444463739 scopus 로고    scopus 로고
    • note
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  • 9
    • 0001962834 scopus 로고
    • Lund, A.; Shiotani, M., Eds.; Kluwer: Dortrecht
    • (a) Bally, T. In Radical Ionic Systems; Lund, A.; Shiotani, M., Eds.; Kluwer: Dortrecht, 1991; p 3.
    • (1991) Radical Ionic Systems , pp. 3
    • Bally, T.1
  • 13
    • 0002619152 scopus 로고    scopus 로고
    • A guided tour of time-dependent density functional theory
    • Joubert, D., Ed.; Springer: Berlin
    • (a) Burke, K.; Gross, E. K. U. A Guided Tour of Time-Dependent Density Functional Theory. In Density Functionals: Theory and Applications; Joubert, D., Ed.; Springer: Berlin, 1998; pp 116-146.
    • (1998) Density Functionals: Theory and Applications , pp. 116-146
    • Burke, K.1    Gross, E.K.U.2
  • 21
    • 33444456282 scopus 로고    scopus 로고
    • note
    • It is worth noting here that Koopmans-based HF calculations, despite having better geometries, are not nearly as useful for predicting optical spectra as AMI calculations, presumably because they lack any electron correlation.
  • 24
    • 33444462865 scopus 로고    scopus 로고
    • note
    • 2.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.