@article{BaranacStojanovicKeinpeter2011,
  author    = {Baranac-Stojanovic, Marija and Keinpeter, Erich},
  title     = {Quantification of the aromaticity of 2-Alkylidenethiazolines subjected to push-pull activity},
  series = {The journal of organic chemistry},
  volume    = {76},
  journal   = {The journal of organic chemistry},
  number    = {10},
  publisher = {American Chemical Society},
  address   = {Washington},
  issn      = {0022-3263},
  doi       = {10.1021/jo200294f},
  pages     = {3861 -- 3871},
  year      = {2011},
  abstract  = {Through-space NMR shieldings (TSNMRSs) of a series of 2-alkylidenethiazolines subjected to push-pull activity have been calculated by the GIAO method employing the nucleus-independent chemical shift (NICS) concept and visualized as iso-chemical-shielding surfaces (ICSSs). The ICSSs were applied to quantify and visualize the degree of aromaticity of the studied compounds, which has been shown to be in excellent correlation with the push-pull behavior, quantified by the quotient (pi*/pi) method. Dissection of the absolute magnetic shielding values into individual contributions of bonds and lone pairs by the natural chemical shielding-natural bond orbital (NCS-NBO) analysis has revealed unexpected details.},
  language  = {en}
}
@article{ShainyanKirpichenkoShlykovetal.2012,
  author    = {Shainyan, Bagrat A. and Kirpichenko, Svetlana V. and Shlykov, Sergei A. and Keinpeter, Erich},
  title     = {Structure and conformational properties of 1,3,3-Trimethyl-1,3-Azasilinane gas electron diffraction, dynamic NMR, and theoretical study},
  series = {The journal of physical chemistry : A, Molecules, spectroscopy, kinetics, environment \& general theory},
  volume    = {116},
  journal   = {The journal of physical chemistry : A, Molecules, spectroscopy, kinetics, environment \& general theory},
  number    = {1},
  publisher = {American Chemical Society},
  address   = {Washington},
  issn      = {1089-5639},
  doi       = {10.1021/jp2110852},
  pages     = {784 -- 789},
  year      = {2012},
  abstract  = {Structure and the conformational properties of 1,3,3-trimethyl-1,3-azasilinane have been studied. According to gas electron diffraction (GED), the molecule exists in a slightly distorted chair conformation with the N-Me group in equatorial position. High-level quantum chemical calculations excellently, reproduce the experimental geometry. Employing variable temperature H-1 and C-13 NMR spectroscopy down to 103 K, the conformational equilibrium could be frozen and the barrier to ring inversion determined.},
  language  = {en}
}