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Volumn 13, Issue 17, 2012, Pages 3803-3811

Density Functional Calculations of the Anisotropic Effects of Borazine and 1,3,2,4-Diazadiboretidine

Author keywords

anisotropic effects; aromaticity; B,N heterocycles; density functional calculations; NMR spectroscopy

Indexed keywords


EID: 84870537418     PISSN: 14394235     EISSN: 14397641     Source Type: Journal    
DOI: 10.1002/cphc.201200732     Document Type: Article
Times cited : (10)

References (72)
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    • NICS is the negative of the magnetic shielding, usually computed at ring centers or at chosen points in the vicinity of molecules. ICSSs are based on real, not negative, shielding values.
    • P. v. R. Schleyer, C. Maerker, A. Dransfeld, H. Jiao, N. J. R. van Eikema Hommes, J. Am. Chem. Soc. 1996, 118, 6317. NICS is the negative of the magnetic shielding, usually computed at ring centers or at chosen points in the vicinity of molecules. ICSSs are based on real, not negative, shielding values.
    • (1996) J. Am. Chem. Soc. , vol.118 , pp. 6317
    • Schleyer, V.P.R.1    Maerker, C.2    Dransfeld, A.3    Jiao, H.4    Van Eikema Hommes, N.J.R.5
  • 45
    • 14144254876 scopus 로고    scopus 로고
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    • According to the IUPAC definition from 1999, aromaticity is the concept of spatial and electronic structure of cyclic molecular systems displaying the effects of cyclic electron delocalization which provide for their enhanced thermodynamic stability (relative to acyclic structural analogues) and tendency to retain the structural type in the course of chemical transformations. http://goldbook.iupac.org/A00442.html.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.