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Volumn 105, Issue 13, 2001, Pages 3214-3220

Delocalization of electrons in molecules

Author keywords

[No Author keywords available]

Indexed keywords

DELOCALIZATION;

EID: 0035810502     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp0034426     Document Type: Article
Times cited : (611)

References (36)
  • 1
    • 33645850606 scopus 로고
    • Liebman, J. F., Greenberg, A., Eds.; Verlag Chemie: Weinheim, Chapter 1.
    • Dewar, M. J. S. In Modern Models of Bonding and Delocalization; Liebman, J. F., Greenberg, A., Eds.; Verlag Chemie: Weinheim, 1988; Chapter 1.
    • (1988) Modern Models of Bonding and Delocalization
    • Dewar, M.J.S.1
  • 8
    • 85088172480 scopus 로고    scopus 로고
    • 60, for example, exhibits an unexpectedly small bulk magnetic susceptibility, which was found to be due to a cancelation of dia- and paramagnetic ring current susceptibilies in six- and five-membered rings by a local analysis of the current density (ref 9).
    • 60, for example, exhibits an unexpectedly small bulk magnetic susceptibility, which was found to be due to a cancelation of dia- and paramagnetic ring current susceptibilies in six- and five-membered rings by a local analysis of the current density (ref 9).
  • 20
    • 33645886237 scopus 로고
    • Infrared and Raman Spectra of Polyatomic Molecules, 2nd ed.
    • Krieger Publishing Co.: Malabar, FL, eq III
    • For derivation and proof of the equation used by Wallenborn et al. the following literature was cited: Herzberg, G. Infrared and Raman Spectra of Polyatomic Molecules, 2nd ed.; Molecular Spectra and Structure, Vol. II; Krieger Publishing Co.: Malabar, FL, 1991; eq III, p 20.
    • (1991) Molecular Spectra and Structure , vol.2 , pp. 20
    • Herzberg, G.1
  • 26
    • 33645889864 scopus 로고    scopus 로고
    • Such a function has to be symmetrical with respect to a rotation around the z-axis and antisymmetrical with respect to reflection in the a mirror planes. This condition cannot be met with any scalar function except the trivial solution f(x,y,z) = 0 but only with vector functions
    • Such a function has to be symmetrical with respect to a rotation around the z-axis and antisymmetrical with respect to reflection in the a mirror planes. This condition cannot be met with any scalar function except the trivial solution f(x,y,z) = 0 but only with vector functions.
  • 29
    • 33645893967 scopus 로고    scopus 로고
    • The critical isosurface value for cyclohexane, cyclopropane and benzene are 0.0459, 0.0529 and 0.0740.
    • The critical isosurface value for cyclohexane, cyclopropane and benzene are 0.0459, 0.0529 and 0.0740.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.