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Volumn 5, Issue 2, 1984, Pages 129-145

An approach to computing electrostatic charges for molecules

Author keywords

[No Author keywords available]

Indexed keywords


EID: 84986468608     PISSN: 01928651     EISSN: 1096987X     Source Type: Journal    
DOI: 10.1002/jcc.540050204     Document Type: Article
Times cited : (3079)

References (48)
  • 13
    • 84986502794 scopus 로고    scopus 로고
    • Subroutine courtesy of R. Bonaccosi from the University of Pisa.
  • 14
  • 25
    • 0000586431 scopus 로고
    • The molecular Zeeman effect in diamagnetic molecules and the determination of molecular magnetic moments (gvalues), magnetic susceptibilities, and molecular quadrupole moments
    • (1971) Molecular Physics , vol.20 , pp. 225
    • Flygare, W.1    Benson, R.C.2
  • 40
    • 84986426494 scopus 로고    scopus 로고
    • 3 bases are for A, T, C, G: 2.2, 3.3, 5.4, 6.3 [this study, UA model STO‐3G basis (ref. 16)].
  • 41
    • 84986451315 scopus 로고    scopus 로고
    • 2.4, 3.7, 5.7, 6.6 [this study UA model Clementi basis (ref. 17)].
  • 42
    • 84986501197 scopus 로고    scopus 로고
    • 1.8, 2.2, 4.4, 4.7 (ref. 32).
  • 43
    • 84986519168 scopus 로고    scopus 로고
    • 1.1, 3.4, 4.4, 5.4 (ref. 33).
  • 44
    • 84986473034 scopus 로고    scopus 로고
    • 2.6, 3.8, 8.1, 7.8 (ref. 34).
  • 45
    • 84986473049 scopus 로고    scopus 로고
    • 3 thymine are ∼ 3.0 and 3.9 D, respectively.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.