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Volumn 11, Issue 5, 1996, Pages 415-420

A role for density functional calculations in the rational design of bioreductive cobalt complexes?

Author keywords

[No Author keywords available]

Indexed keywords

ANTINEOPLASTIC AGENT; CHLORINE; COBALT COMPLEX; DICHLOROMETHANE; HYDROGEN; N,N DIMETHYLFORMAMIDE; TETRAHYDROFURAN;

EID: 0030017690     PISSN: 02669536     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Article
Times cited : (5)

References (18)
  • 1
    • 3342922190 scopus 로고
    • Density functional Gaussian-type-orbital approach to molecular geometries, vibrations, and reaction energies
    • The commercial version of DGAUSS is available from CRAY Research, 655 Lone Oak Drive, Eagan, MN 55121, USA
    • ANDZELM, J. & WIMMER, E. (1992). Density functional Gaussian-type-orbital approach to molecular geometries, vibrations, and reaction energies. Journal of Chemical Physics, 96, 1280. (The commercial version of DGAUSS is available from CRAY Research, 655 Lone Oak Drive, Eagan, MN 55121, USA.)
    • (1992) Journal of Chemical Physics , vol.96 , pp. 1280
    • Andzelm, J.1    Wimmer, E.2
  • 2
    • 4243553426 scopus 로고
    • Density-functional exchange-energy approximation with correct asymptotic-behaviour
    • BECKE, A.D. (1988). Density-functional exchange-energy approximation with correct asymptotic-behaviour. Physical Review A, 38, 3098.
    • (1988) Physical Review A , vol.38 , pp. 3098
    • Becke, A.D.1
  • 5
    • 0023118029 scopus 로고
    • Aspects of cytotoxic drug penetration with particular reference to anthracyclines
    • KERR, D.J. & KAYE, S.B. (1987). Aspects of cytotoxic drug penetration with particular reference to anthracyclines. Cancer Chemotherapy Pharmacology, 19, 1.
    • (1987) Cancer Chemotherapy Pharmacology , vol.19 , pp. 1
    • Kerr, D.J.1    Kaye, S.B.2
  • 11
    • 5944261746 scopus 로고
    • Density-functional approximation for the correlation-energy of the inhomogeneous electron-gas
    • PERDEW, J.P. (1986). Density-functional approximation for the correlation-energy of the inhomogeneous electron-gas. Physical Review B, 33, 8822.
    • (1986) Physical Review B , vol.33 , pp. 8822
    • Perdew, J.P.1
  • 13
    • 0000216001 scopus 로고
    • Accurate spin-dependent electron liquid correlation energies for local spin density calculations
    • VOSKO, S.J., WILK, L. & NUSAIR, M. (1980). Accurate spin-dependent electron liquid correlation energies for local spin density calculations. Canadian Journal of Chemistry, 58, 1200.
    • (1980) Canadian Journal of Chemistry , vol.58 , pp. 1200
    • Vosko, S.J.1    Wilk, L.2    Nusair, M.3
  • 15
    • 0027160629 scopus 로고
    • Hypoxia-selective anticancer agents. 7. Metal complexes of aliphatic mustards as a new class of hypoxia-selective cytotoxins. Synthesis and evaluation of cobalt(III) complexes of bidenate mustards
    • WARE, D.C., PALMER, B.D., WILSON, W.R. & DENNY, W.A. (1993). Hypoxia-selective anticancer agents. 7. Metal complexes of aliphatic mustards as a new class of hypoxia-selective cytotoxins. Synthesis and evaluation of cobalt(III) complexes of bidenate mustards. Journal of Medicinal Chemistry, 36, 1839.
    • (1993) Journal of Medicinal Chemistry , vol.36 , pp. 1839
    • Ware, D.C.1    Palmer, B.D.2    Wilson, W.R.3    Denny, W.A.4
  • 18
    • 0344791553 scopus 로고
    • Approximate density functional theory as a practical tool in molecular energetics and dynamics
    • ZIEGLER, T. (1991). Approximate density functional theory as a practical tool in molecular energetics and dynamics. Chemical Reviews, 91, 651.
    • (1991) Chemical Reviews , vol.91 , pp. 651
    • Ziegler, T.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.