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Volumn 287, Issue 1-2, 2003, Pages 33-42

The low frequency vibrational modes of green fluorescent proteins

Author keywords

Density functional theory; Green fluorescent proteins; Surface enhanced Raman scattering

Indexed keywords

GREEN FLUORESCENT PROTEIN; MUTANT PROTEIN;

EID: 0037306743     PISSN: 03010104     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0301-0104(02)00976-X     Document Type: Article
Times cited : (31)

References (44)
  • 27
    • 4243553426 scopus 로고
    • D.A. Becke, Phys. Rev. A 38 (1988) 3098; C. Lee, W. Yang, R.G. Parr, Phys. Rev. B 37 (1988) 785.
    • (1988) Phys. Rev. A , vol.38 , pp. 3098
    • Becke, D.A.1
  • 29
    • 33645426115 scopus 로고
    • We used Troullier-Martins pseudopotentials [N. Troullier, J.L. Martins Phys. Rev. B 43 (1991) 1993-2006] with core radius 1.23 a.u. for C and N and 1.25 for O. The pseudopotential for H was obtained as in [L. Pavesi, P. Giannozzi, F.K. Reinhart, Phys. Rev. B 42 (1990) 1864-1867]. This set of pseudopotentials lead to a convergence of the geometry within ≤0.3% of the full convergence values at 60 Ry of energy cutoff for the plane waves. A test calculation on formaldehyde showed that the experimental vibrational frequencies are reproduced with an average accuracy of 3%.
    • (1991) Phys. Rev. B , vol.43 , pp. 1993-2006
    • Troullier, N.1    Martins, J.L.2
  • 30
    • 0000610023 scopus 로고
    • We used Troullier-Martins pseudopotentials [N. Troullier, J.L. Martins Phys. Rev. B 43 (1991) 1993-2006] with core radius 1.23 a.u. for C and N and 1.25 for O. The pseudopotential for H was obtained as in [L. Pavesi, P. Giannozzi, F.K. Reinhart, Phys. Rev. B 42 (1990) 1864-1867]. This set of pseudopotentials lead to a convergence of the geometry within ≤0.3% of the full convergence values at 60 Ry of energy cutoff for the plane waves. A test calculation on formaldehyde showed that the experimental vibrational frequencies are reproduced with an average accuracy of 3%.
    • (1990) Phys. Rev. B , vol.42 , pp. 1864-1867
    • Pavesi, L.1    Giannozzi, P.2    Reinhart, F.K.3
  • 31
    • 0012862493 scopus 로고    scopus 로고
    • note
    • Orthorhombic simulation boxes with cell sides varying from 30 to 40 a.u. were chosen depending on the model system in order to leave at least 5 Å of empty space between periodic images.
  • 42
    • 0012862494 scopus 로고    scopus 로고
    • note
    • -1 show a certain degree of variability in their relative intensity, depending on sample preparation and on their story prior to illumination. We attribute this to fluctuations in relative A/B population.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.