| Title | Date | Views | Brief Description |
|---|
| Computed NMR shielding values of unsaturated five-membered-heterocyclic ring compounds and their benzo-analogs as a measure of aromaticity |
2008 |
4680 |
The gauge independent atomic orbital (GIAO) Hartree-Fock (HF) technique
with a 6-31 G(d, p) basis set was used to calculate the isotropic NMR shielding values of
a diatomic hydrogen probe above a set of unsaturated 5-membered heterocyclic aromatic
... |
| Using computational methods to predict NMR spectra for polyether compounds |
2009 |
5683 |
Naturally occurring polyether ring compounds have been studied extensively over
the past several years because of their importance as biologically active hemolytic and
neurotoxic substances produced by various marine phytoplankton species. These
s... |