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Volumn 106, Issue 13, 1997, Pages 5658-5666

Calculation of electronic tunneling matrix element in proteins: Comparison of exact and approximate one-electron methods for Ru-modified azurin

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EID: 5244336175     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.473586     Document Type: Article
Times cited : (49)

References (50)
  • 18
    • 33751386180 scopus 로고
    • C. X. Liang and M. D. Newton, J. Phys. Chem. 96, 2855 (1992); 97, 3199 (1993).
    • (1993) J. Phys. Chem. , vol.97 , pp. 3199
  • 22
    • 0027733719 scopus 로고
    • J. W. Evenson and M. Karplus, J. Chem. Phys. 96, 5272 (1992); Science 262, 1247 (1993).
    • (1993) Science , vol.262 , pp. 1247
  • 27
    • 5244245393 scopus 로고    scopus 로고
    • to be published
    • S. Priyadarshy, S. S. Skourtis, D. Beratan, and S. M. Risser, J. Chem. Phys. 104, 9473 (1996); A. A. Stuchebrukhov, Chem. Phys. Lett. (to be published).
    • Chem. Phys. Lett.
    • Stuchebrukhov, A.A.1
  • 29
    • 0009399002 scopus 로고
    • P. Siddarth and R. A. Marcus, J. Phys. Chem. 94, 2985 (1993); 97, 2400 (1993).
    • (1993) J. Phys. Chem. , vol.97 , pp. 2400
  • 30
    • 33751553935 scopus 로고
    • M. Ratner, J. Phys. Chem. 94, 4877 (1990); M. Kemp, A. Roitberg, V. Mujica, T. Wanta, and M. A. Ratner, ibid. 100, 8349 (1996).
    • (1990) J. Phys. Chem. , vol.94 , pp. 4877
    • Ratner, M.1
  • 41
    • 5244310869 scopus 로고    scopus 로고
    • note
    • The CRAY computer J90 of Jet Propulsion Laboratory, on which the calculations of the present paper have been carried out, has the core memory of 128 Mwords (1 word = 8 bytes). For a full Ru-modified azurin system, the direct diagonalization of the problem would require only twice as much memory.
  • 42
    • 5244327804 scopus 로고    scopus 로고
    • note
    • EHMACC program (QCPE) originally written by M.-H. Whangbo in the laboratory of R. Hoffmann, Dept. of Chemistry, Cornell University, Ithaca N.Y., Dec. 1976; the latest modification is due to M. Evain in the laboratory of M. H. Whangbo (Dept. of Chemistry, North Carolina State University, Raleigh N.C., 1987).
  • 47
    • 5244283075 scopus 로고    scopus 로고
    • note
    • The files with atomic coordinates of the molecules used the present study were kindly provided by Ralf Langen of Gray's research group.
  • 49
    • 33845280170 scopus 로고
    • A. A. Gewirth and E. I. Solomon, J. Am. Chem. Soc. 110, 3811 (1988); J. A. Guckert, M. D. Lowery, and E. I. Solomon, ibid. 117, 2817 (1995).
    • (1988) J. Am. Chem. Soc. , vol.110 , pp. 3811
    • Gewirth, A.A.1    Solomon, E.I.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.