NICS evaluation for Cope rearrangements of cis-1,2-divinylcyclopropane and cis-1,2-divinylcyclobutane

Zora, METİN

doi:10.1016/j.theochem.2004.05.011

NICS evaluation for Cope rearrangements of cis-1,2-divinylcyclopropane and cis-1,2-divinylcyclobutane

Atıf İçin Kopyala

Zora M.

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, cilt.681, ss.113-116, 2004 (SCI-Expanded)

Yayın Türü: Makale / Tam Makale
Cilt numarası: 681
Basım Tarihi: 2004
Doi Numarası: 10.1016/j.theochem.2004.05.011
Dergi Adı: JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus
Sayfa Sayıları: ss.113-116
Orta Doğu Teknik Üniversitesi Adresli: Evet

Özet

Aromaticity of transition structures for Cope rearrangements of cis-1,2-divinylcyclopropane and cis-1,2-divinylcyclobutane is evaluated on the basis of GIAO-HF/6-31 + G*//B3LYP/6-31G* calculated NICS values. (C) 2004 Elsevier B.V. All rights reserved.