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Volumn 36, Issue 7, 1997, Pages 748-750

The Bond Localization Energies in the Aromatic Bismethano[14]annulenes

Author keywords

Ab initio calculations; Annulenes; Aromaticity; Bond length alterations; Density functional calculations

Indexed keywords


EID: 0030855613     PISSN: 05700833     EISSN: None     Source Type: Journal    
DOI: 10.1002/anie.199707481     Document Type: Article
Times cited : (25)

References (45)
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    • Although correlation energy is, in principle, included in the PM3 parametrization. the method is more suited for localized bond systems than for delocalized
    • Although correlation energy is, in principle, included in the PM3 parametrization. the method is more suited for localized bond systems than for delocalized.
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    • Magnetic susceptibilities have been calculated using Kutzeinigg's IGLO method (Individual Gauge for Localized Orbitals) with the DZ basis set (constructed from Huzinaga 7s3p set for carbon (4111/21) and 3s set for hydrogen (21): a) W. Kutzelnigg, Isr. J. Chem. 1980, 19, 193; b) M. Schindler, W. Kutzelnigg, J. Chem. Phys. 1982, 76, 1910; W. Kutzelnigg, U. Fleisher, M. Schindler, NMR Basic Princ. Prog. 1990, 23, 165.
    • (1980) Isr. J. Chem. , vol.19 , pp. 193
    • Kutzelnigg, W.1
  • 34
    • 1842285126 scopus 로고
    • Magnetic susceptibilities have been calculated using Kutzeinigg's IGLO method (Individual Gauge for Localized Orbitals) with the DZ basis set (constructed from Huzinaga 7s3p set for carbon (4111/21) and 3s set for hydrogen (21): a) W. Kutzelnigg, Isr. J. Chem. 1980, 19, 193; b) M. Schindler, W. Kutzelnigg, J. Chem. Phys. 1982, 76, 1910; W. Kutzelnigg, U. Fleisher, M. Schindler, NMR Basic Princ. Prog. 1990, 23, 165.
    • (1982) J. Chem. Phys. , vol.76 , pp. 1910
    • Schindler, M.1    Kutzelnigg, W.2
  • 35
    • 0000572756 scopus 로고
    • Magnetic susceptibilities have been calculated using Kutzeinigg's IGLO method (Individual Gauge for Localized Orbitals) with the DZ basis set (constructed from Huzinaga 7s3p set for carbon (4111/21) and 3s set for hydrogen (21): a) W. Kutzelnigg, Isr. J. Chem. 1980, 19, 193; b) M. Schindler, W. Kutzelnigg, J. Chem. Phys. 1982, 76, 1910; W. Kutzelnigg, U. Fleisher, M. Schindler, NMR Basic Princ. Prog. 1990, 23, 165.
    • (1990) NMR Basic Princ. Prog. , vol.23 , pp. 165
    • Kutzelnigg, W.1    Fleisher, U.2    Schindler, M.3


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.