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Volumn 108, Issue 2-3, 1998, Pages 180-190

A method to integrate an atom in a molecule without explicit representation of the interatomic surface

Author keywords

Algorithm; Atomic properties; Atoms in molecules; Charge density

Indexed keywords


EID: 0001660948     PISSN: 00104655     EISSN: None     Source Type: Journal    
DOI: 10.1016/s0010-4655(97)00121-5     Document Type: Article
Times cited : (105)

References (19)
  • 11
    • 0042158918 scopus 로고    scopus 로고
    • with a contribution from R.G.A. Bone UMIST, Manchester, UK
    • MORPHY97, a program written by P.L.A. Popelier with a contribution from R.G.A. Bone (UMIST, Manchester, UK, 1997).
    • (1997) MORPHY97
    • Popelier, P.L.A.1
  • 13
    • 0004133516 scopus 로고
    • Gaussian Inc., Pittsburgh, PA
    • Frisch et al., Gaussian 94 (Gaussian Inc., Pittsburgh, PA, 1995).
    • (1995) Gaussian 94
    • Frisch1
  • 14
    • 26144473990 scopus 로고
    • A.D. Becke, Phys. Rev. A 38 (1992) 557; C. Lee, W. Yang, R.G. Parr, Phys. Rev. B 37 (1988) 785.
    • (1992) Phys. Rev. A , vol.38 , pp. 557
    • Becke, A.D.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.