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Volumn 110, Issue 14, 2006, Pages 7129-7138

A TDDFT study of the excited states of DNA bases and their assemblies

Author keywords

[No Author keywords available]

Indexed keywords

ABSORPTION; DNA; HYDROGEN BONDS; LIGHT POLARIZATION; ULTRAVIOLET RADIATION;

EID: 33646260931     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp056120g     Document Type: Article
Times cited : (110)

References (91)
  • 52
    • 0037451468 scopus 로고    scopus 로고
    • xc. For instance, it was shown that in processes that involve charge-transfer mechanisms, such as fluorescence in base pairs, the correct asymptotic behavior of the exchange-correlation functional may affect the accuracy of the outcome. See, e.g., Grimme, S.; Parac, M. ChemPhysChem 2003, 4, 292.
    • (2003) Chem Phys Chem , vol.4 , pp. 292
    • Grimme, S.1    Parac, M.2
  • 53
    • 33645426115 scopus 로고    scopus 로고
    • Troullier, N.; Martins, J. L. 1991, 43, 1993
    • Troullier, N.; Martins, J. L. 1991, 43, 1993.
  • 60
    • 84906373274 scopus 로고    scopus 로고
    • Zhang, H.; Di Felice, R., unpublished
    • Zhang, H.; Di Felice, R., unpublished.
  • 81
    • 84906373275 scopus 로고    scopus 로고
    • Hernández, C. E. C.; Marai, C.; Kohler, B., unpublished, 2004
    • Hernández, C. E. C.; Marai, C.; Kohler, B., unpublished, 2004.
  • 90
    • 84906401973 scopus 로고    scopus 로고
    • note
    • With this reasoning, we do not claim that the values of the ππ* transitions are to be considered exact also for the solution phase, but they are not expected to undergo major modifications in different solutions. Most likely, the effect of the environment on the ππ* transitions can be expected to be a systematic shift toward low energies, which should be taken into account for a more strict comparison in Tables 1-6. However, such a shift cannot be computed at present at the same level of theory.
  • 91
    • 84906387509 scopus 로고    scopus 로고
    • Varsano, D.; Di Felice, R.; Marques, M. A. L.; Rubio, A., unpublished
    • Varsano, D.; Di Felice, R.; Marques, M. A. L.; Rubio, A., unpublished.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.