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Volumn 127, Issue 35, 2005, Pages 12329-12337

Optical absorption of the blue fluorescent protein: A first-principles study

Author keywords

[No Author keywords available]

Indexed keywords

CHROMOPHORES; ELECTROMAGNETIC FIELD EFFECTS; FLUORESCENCE; INCLUSIONS; LIGHT ABSORPTION; POSITIVE IONS; PROBABILITY DENSITY FUNCTION; PROTON IRRADIATION; TORSIONAL STRESS;

EID: 24644512135     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja050935l     Document Type: Article
Times cited : (61)

References (41)
  • 1
    • 0036489443 scopus 로고    scopus 로고
    • and references therein
    • Zimmer, M. Chem. Rev. 2002, 102, 759-781 and references therein.
    • (2002) Chem. Rev. , vol.102 , pp. 759-781
    • Zimmer, M.1
  • 12
    • 15444370709 scopus 로고    scopus 로고
    • Fiolhais, C., Nogueira, F., Marques, M. A. L., Eds.; Springer-Verlag: Berlin
    • Marques, M. A. L.; Gross, E. K. U. In A Primer in Density Functional Theory; Fiolhais, C., Nogueira, F., Marques, M. A. L., Eds.; Springer-Verlag: Berlin, 2003; pp 144-184.
    • (2003) A Primer in Density Functional Theory , pp. 144-184
    • Marques, M.A.L.1    Gross, E.K.U.2
  • 16
  • 25
    • 0037351976 scopus 로고    scopus 로고
    • The octopus project is aimed at describing the electron-ion dynamics in finite and extended systems under the influence of time-dependent electromagnetic fields. The program can be freely downloaded from it http://www.tddft.org/programs/octopus. For details, see: Marques, M. A. L.; Castro, A.; Bertsch, G. F.; Rubio, A. Comput. Phys. Commun. 2000, 151, 60-78.
    • (2000) Comput. Phys. Commun. , vol.151 , pp. 60-78
    • Marques, M.A.L.1    Castro, A.2    Bertsch, G.F.3    Rubio, A.4
  • 39
    • 24644495939 scopus 로고    scopus 로고
    • note
    • γ angle is 126.7°, DH1 is 0.1°, and DH2 is -0.3°.
  • 40
    • 24644453298 scopus 로고    scopus 로고
    • note
    • β-Cγ, (ii) very small DH1 angles, and (iii) DH2 values that denote an important breakdown of the coplanarity of the two rings in the chromopeptide: -15.6° (SCC-DFTB/MM), -11.4(B3LYP/6-31G*).
  • 41
    • 24644522573 scopus 로고    scopus 로고
    • note
    • TS(90,ω) is given in terms of the absorption cross-section of the cis and TS conformations.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.