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Volumn 111, Issue 50, 2007, Pages 14012-14021

Ab initio optical absorption spectra of size-expanded xDNA base assemblies

Author keywords

[No Author keywords available]

Indexed keywords

ABSORPTION; ABSORPTION SPECTRA; BENZENE; DENSITY FUNCTIONAL THEORY; HYDROGEN BONDS; LIGHT ABSORPTION;

EID: 38149082046     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp075711z     Document Type: Article
Times cited : (48)

References (65)
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    • 33744997895 scopus 로고    scopus 로고
    • Markovitsi, D.; Talbot, F.; Gustavsson.T.; Onidas, D.; Lazzarotto, E.; Marguet. S. Nature 2006, 441, E7.
    • (d) Markovitsi, D.; Talbot, F.; Gustavsson.T.; Onidas, D.; Lazzarotto, E.; Marguet. S. Nature 2006, 441, E7.
  • 31
    • 33745778149 scopus 로고    scopus 로고
    • Marques, M. A. L, Ullrich, C, Nogueira, F, Rubio, A, Burke, K, Gross, E. K. U, Eds, Springer: Berlin, Germany
    • Time-Dependent Density Functional Theory; Marques, M. A. L., Ullrich, C., Nogueira, F., Rubio, A., Burke, K.. Gross, E. K. U., Eds.; Springer: Berlin, Germany, 2006.
    • (2006) Time-Dependent Density Functional Theory
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    • 11244276851 scopus 로고    scopus 로고
    • Schuster. G, Ed
    • (a) Giese, B. In Topics Curr. Chem. 2004, 236, 27; Schuster. G., Ed.
    • (2004) Topics Curr. Chem , vol.236 , pp. 27
    • Giese, B.1
  • 60
    • 84906393836 scopus 로고    scopus 로고
    • 2 stack because it is the only available sample containing only benzopurines and H-bonded x-pairs of a single type, which is expected to lead to a more regular conformation and optimized stacking.
    • 2 stack because it is the only available sample containing only benzopurines and H-bonded x-pairs of a single type, which is expected to lead to a more regular conformation and optimized stacking.
  • 61
    • 84906393834 scopus 로고    scopus 로고
    • 2, this comparison is less rigorous than that for the two other stacked systems because the structure is not composed of two identical pairs. For full consistency, one should calculate the spectra for both the isolated H-bonded pairs forming the structure and sum them. However, our approximation is satisfactory for qualitative indications.
    • 2, this comparison is less rigorous than that for the two other stacked systems because the structure is not composed of two identical pairs. For full consistency, one should calculate the spectra for both the isolated H-bonded pairs forming the structure and sum them. However, our approximation is satisfactory for qualitative indications.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.