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Volumn 15, Issue 2, 2004, Pages 121-132

A quantum chemical study of N14 cluster

Author keywords

Ab initio calculation; DFT; HEDMs; Nitrogen clusters

Indexed keywords

NITROGEN;

EID: 3543128445     PISSN: 10400400     EISSN: None     Source Type: Journal    
DOI: 10.1023/B:STUC.0000011247.54952.89     Document Type: Article
Times cited : (14)

References (43)
  • 33
    • 5944261746 scopus 로고
    • Perdew, J. P. Phys. Rev. B 1986, 33, 8822; Perdew, J. P. Phys. Rev. B 1987, 34, 7406.
    • (1986) Phys. Rev. B , vol.33 , pp. 8822
    • Perdew, J.P.1
  • 34
    • 4043083704 scopus 로고
    • Perdew, J. P. Phys. Rev. B 1986, 33, 8822; Perdew, J. P. Phys. Rev. B 1987, 34, 7406.
    • (1987) Phys. Rev. B , vol.34 , pp. 7406
    • Perdew, J.P.1
  • 35
    • 0013508394 scopus 로고
    • The BH and HLYP method implemented in the Gaussian Programs has the formula 0.5 x Ex (LSDA) + 0.5 x Ex (HF) + 0.5 x Delta - Ex (B88) + Ec (LYP), which is actually somewhat different from the formulation proposed by Becke in his paper; Becke, A. D. J. Chem. Phys. 1993, 99, 1053.
    • (1993) J. Chem. Phys. , vol.99 , pp. 1053
    • Becke, A.D.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.