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Volumn 122, Issue 14, 2000, Pages 3532-3533

A density functional normal mode calculation of a bacteriochlorophyll a derivative [6]

Author keywords

[No Author keywords available]

Indexed keywords

BACTERIOCHLOROPHYLL; MEMBRANE PROTEIN;

EID: 0034639970     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja993849s     Document Type: Letter
Times cited : (33)

References (22)
  • 1
    • 0000885678 scopus 로고
    • H. Scheer, Ed.; CRC Press: Boca Ralon, FL
    • Lutz. M.; Mäntele In Chlorophylls; H. Scheer, Ed.; CRC Press: Boca Ralon, FL, 1991; p 855.
    • (1991) Chlorophylls , pp. 855
    • Lutz, M.1    Mäntele2
  • 5
    • 26144450583 scopus 로고
    • for the electron gas correlation energy
    • We use the interpolation of Perdew, J. P.; Zunger, A. Phys. Rev. B 1981, 23, 5048 for the electron gas correlation energy
    • (1981) Phys. Rev. B , vol.23 , pp. 5048
    • Perdew, J.P.1    Zunger, A.2
  • 6
    • 0039892284 scopus 로고
    • . We use the gradient correction of Becke for exchange (Becke, A. D. J. Chem. Phys. 1986, 84, 4524),
    • (1986) J. Chem. Phys. , vol.84 , pp. 4524
    • Becke, A.D.1
  • 7
    • 5944261746 scopus 로고
    • for correlation
    • and of Perdew (Perdew, J. P. Phys. Rev. B 1986, 33, 8822) for correlation.
    • (1986) Phys. Rev. B , vol.33 , pp. 8822
    • Perdew, J.P.1
  • 12
    • 84867110001 scopus 로고
    • MPI für Festkörperforschung and IBM Research
    • Computations are performed using the CPMD program version 3.0, J. Hutter et al., MPI für Festkörperforschung and IBM Research, 1990-1998
    • (1990)
    • Hutter, J.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.