5Adamo C, Barone V. Toward chemical accuracy in the computation of NMR shieldings: the PBE0 model. [J] Chemical Physics Let- ters, 1998, 298(1): 113-119.
6Magyarfalvi G, Pulay P. Assessment of density functional methods for nuclear magnetic resonance shielding calculations[J]. The Journal of Chemical Physics, 2003, 119(3) : 1350-1357.
7Lee A M, Handy N C, Colwell S M. The density functional calculation of nuclear shielding constants using London atomic orhitals [J]. The Journal of Chemical Physics, 1995, 103(23) 10095-10109.
8Lodewyk M W, Siebert M R, Tantillo D J. Computational prediction of 1H and 13C chemical shifts: A useful tool for natural prod- uct, mechanistic, and synthetic organic chemistry[J]. Chemical Reviews, 2011, 112(3).. 1839-1862.
9liChen Z, Wannere C S, Corminboeuf C, et al. Nucleus--independent chemical shifts (NICS) as an aromaticity criterion[J]. Chemi- cal Reviews, 2005, 105(10) : 3842-3888.
10Schleyer P R, Maerker C, Dransfeld A, et al. Nucleus-independent chemical shifts; a simple and efficient aromaticity probe[J]. Journal of the American Chemical Society, 1996, 118(26): 6317-6318.