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Volumn 124, Issue 16, 2006, Pages

Interaction energies of monosubstituted benzene dimers via nonlocal density functional theory

Author keywords

[No Author keywords available]

Indexed keywords

DENSITY FUNCTIONAL THEORY; ENERGY FUNCTIONAL; GENERALIZED GRADIENT FUNCTIONAL; INTERACTION ENERGIES;

EID: 34547237014     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2189230     Document Type: Article
Times cited : (81)

References (39)
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    • J. Šponer, J. Leszczynski, and P. Hobza, J. Comput. Chem. 0192-8651 10.1002/(SICI)1096-987X(199605)17:7<841::AID-JCC83.0.CO;2-S 17, 841 (1996); P. Hobza, J. Šponer, and T. Reschel, J. Comput. Chem. 16, 1315 (1995).
    • (1996) J. Comput. Chem. , vol.17 , pp. 841
    • Šponer, J.1    Leszczynski, J.2    Hobza, P.3
  • 13
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    • J. Šponer, J. Leszczynski, and P. Hobza, J. Comput. Chem. 0192-8651 10.1002/(SICI)1096-987X(199605)17:7<841::AID-JCC83.0.CO;2-S 17, 841 (1996); P. Hobza, J. Šponer, and T. Reschel, J. Comput. Chem. 16, 1315 (1995).
    • (1995) J. Comput. Chem. , vol.16 , pp. 1315
    • Hobza, P.1    Šponer, J.2    Reschel, T.3
  • 23
    • 84858881968 scopus 로고    scopus 로고
    • 2005-16, Chalmers University of Technology; this work supercedes an earlier method (see Ref. 22 below) for extracting finite dimer energies from an infinite double layer.
    • S. D. Chakarova-Käck, J. Kleis, and E. Schröder, "Dimers of polycyclic aromatic hydrocarbons in density functional theory," in Applied Physics Report, 2005-16, Chalmers University of Technology; this work supercedes an earlier method (see Ref. below) for extracting finite dimer energies from an infinite double layer.
    • Chakarova-Käck, S.D.1    Kleis, J.2    Schröder, E.3
  • 27
    • 84858880348 scopus 로고    scopus 로고
    • 2006-6, Chalmers University of Technology.
    • J. Kleis, B. I. Lundqvist, D. C. Langreth, and E. Schröder, "First-principles determination of the polyethylene crystal structure," in Applied Physics Report, 2006-6, Chalmers University of Technology.
    • Kleis, J.1    Lundqvist, B.I.2    Langreth, D.C.3    Schröder, E.4
  • 28
    • 10644250257 scopus 로고
    • 0096-8269 10.1103/PhysRev.136.B864
    • P. Hohenberg and W. Kohn, Phys. Rev. 0096-8269 10.1103/PhysRev.136.B864 136, B864 (1964); W. Kohn and L. J. Sham, Phys. Rev. 140, A1133 (1965).
    • (1964) Phys. Rev. , vol.136 , pp. 864
    • Hohenberg, P.1    Kohn, W.2
  • 29
    • 0042113153 scopus 로고
    • P. Hohenberg and W. Kohn, Phys. Rev. 0096-8269 10.1103/PhysRev.136.B864 136, B864 (1964); W. Kohn and L. J. Sham, Phys. Rev. 140, A1133 (1965).
    • (1965) Phys. Rev. , vol.140 , pp. 1133
    • Kohn, W.1    Sham, L.J.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.