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Volumn 29, Issue 4, 2010, Pages 795-800

Periodic and molecular modeling study of donor-Acceptor Interactions in (dbbpy)Pt(tdt)TENF and [Pt(dbbpy)(tdt)]2·TENF

Author keywords

[No Author keywords available]

Indexed keywords

BIPYRIDINES; DENSITY OF STATE; DFT CALCULATION; DFT COMPUTATIONS; DFT METHOD; DONOR-ACCEPTOR INTERACTION; FLUORENONES; FRACTIONAL CHARGES; INTERACTION ENERGIES; METALLIC BEHAVIORS; MOLECULAR MODELING STUDIES; PLANE WAVE; SIMILARITIES AND DIFFERENCES; STACKING SEQUENCE; THEORETICAL RESULT; TIGHT BINDING;

EID: 76849087883     PISSN: 02767333     EISSN: 15206041     Source Type: Journal    
DOI: 10.1021/om900676m     Document Type: Article
Times cited : (12)

References (40)
  • 2
    • 76849099892 scopus 로고    scopus 로고
    • Ph.D. Dissertation, University of North Texas, Denton, TX
    • (b) Hudson, J. M. Ph.D. Dissertation, University of North Texas, Denton, TX, 2007.
    • (2007)
    • Hudson, J.M.1
  • 24
    • 33645516554 scopus 로고    scopus 로고
    • The YAeHMOP program is freely available on the web site
    • Landrum, G. A.; Glassey, W. V. YAeHMOP (version 3.0). The YAeHMOP program is freely available on the web site: http://yaehmop. sourceforge.net/.
    • YAeHMOP (Version 3.0).
    • Landrum, G.A.1    Glassey, W.V.2
  • 32
    • 76849094344 scopus 로고
    • Methfessel-Paxton smearing (width 0.2 eV) was used for these simulations
    • Methfessel-Paxton smearing (width 0.2 eV) was used for these simulations: Methfessel, M.; Paxton, A. T. Phys. Rev. B 1989, 40, 1616
    • (1989) Phys. Rev. B , vol.40 , pp. 1616
    • Methfessel, M.1    Paxton, A.T.2
  • 37
    • 0038626673 scopus 로고    scopus 로고
    • Revision C.02; Gaussian Inc., Wallingford, CT
    • Frisch, M. J.; Pople, J. A.; et al. Gaussian 03, revision C.02; Gaussian Inc., Wallingford, CT, 2004.
    • (2004) Gaussian 03
    • Frisch, M.J.1    Pople, J.A.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.