| 12895093 |
Ercolani G, Mencarelli P: Role of face-to-face and edge-to-face aromatic interactions in the inclusion complexation of cyclobis (paraquat-p-phenylene): a theoretical study. J Org Chem. 2003 Aug 8;68(16):6470-3.
A B3LYP/6-31G (d,p) and MP2/6-31G (d,p)//B3LYP/6-31G (d,p) computational study of the gas-phase complexation of cyclobis (paraquat-p-phenylene) (1 (4+)) with four typical aromatic guests, namely, 1,4-dimethoxybenzene (2), 1,5-dimethoxynaphthalene (3), benzidine (4), and tetrathiafulvalene (5), has been carried out. |
32(0,1,1,2) |
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