Computational note on nucleus-independent chemical shift (NICS) profiles in some atropisomers 1,8-disubstituted naphthalenes and biphenylenes

Journal of Molecular Structure: THEOCHEM

Volumn 854, Issue 1-3, 2008, Pages 110-

  Bigdeli, Mohammad A ^a   Moradi, Shahram ^b   Nemati, Firouzeh ^a   Karimi, Samaneh ^a  

^a Teacher Training University   (Iran)

^b ISLAMIC AZAD UNIVERSITY   (Iran)

Author keywords

Ab initio; Antiaromaticity; Aromaticity; Atropisomers; Nucleus independent chemical shift

Indexed keywords

EID: 40849120522     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2007.12.023     Document Type: Article

References (3)

1. Bigdeli M.A., Moradi Sh., and Nemati F. J. Mol. Struct. Theochem. 80 (2007) 125
2. Schleyer P.V.R., Maerker C., Dransfeld A., Jiao H., and van Eikema Hommes N.J.R. J. Am. Chem. Soc. 118 (1996) 6317
3. M.J. Frisch, et al., GAUSSIAN98 Revision A. 7, Gaussian, Inc., Pittsburgh, PA, 1998.