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Volumn 13, Issue 27, 2011, Pages 12652-12654

Comment on "the electron density vs. NICS scan: A new approach to assess aromaticity in molecules with different ring sizes" by C. Foroutan-Nejad, S. Shahbazian and P. Rashidi-Ranjbar, Phys. Chem. Chem. Phys., 2010, 12, 12630: Is there a connection between electron densities at the ring critical points and NICS?

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EID: 79960791315     PISSN: 14639076     EISSN: None     Source Type: Journal    
DOI: 10.1039/c0cp02407d     Document Type: Note
Times cited : (11)

References (13)
  • 10
    • 35248880617 scopus 로고    scopus 로고
    • It is rather clear from FSR's study, ref. 3, that aromatic and antiaromatic rings of the same size have similar to identical ρ at the RCP (see below) For clarity, figures from FSR's paper (ref. 3) are referred to as "Figure FSR" At B3LYP/cc-pVTz which is the computational level that was employed by FSR
    • M. Palusiak T. M. Krygowski Chem.-Eur. J. 2007 13 7996 8006
    • (2007) Chem.-Eur. J. , vol.13 , pp. 7996-8006
    • Palusiak, M.1    Krygowski, T.M.2
  • 12
    • 0037954322 scopus 로고    scopus 로고
    • At GIAO-B3LYP/6-311+G*//B3LYP/6-311G*. Data taken from ref. 4c
    • F. Biegler-König J. Comput. Chem. 2000 21 1040 1048
    • (2000) J. Comput. Chem. , vol.21 , pp. 1040-1048
    • Biegler-König, F.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.