Samuel C. Wait

TL;DR: In this paper, the vibrational spectra of quinoline and isoquinoline were assigned to normal coordinate analysis using the Urey-Bradley Force Field including Kekule modification with force constants transferred from naphthalene and s -triazine.

TL;DR: In this paper, a normal coordinate calculation of the fundamental vibrations of phenazine was performed from infrared and Raman spectra, compared to the vibrational assignments of anthracene.

TL;DR: In this article, a contact ion-pair model is proposed for nearest neighbor pairwise association in which the metal ion interacts with the oxygen at a unidentate site in the ion pair, and force constants are reported, calculated from a normal coordinate vibrational analysis for this model, and the Urey-Bradley force-field assumptions.

TL;DR: In this paper, molecular orbital calculations were performed which predicted that carbazole would have the lowest transition energy, dibenzofuran intermediate, and fluorene the highest, and the lowest singlet-singlet transition would be polarized along the axis which contains the hetero-atom, and this lowest transition should be weaker than the second lowest transition.

TL;DR: In this article, the energy levels, wave functions and charge densities of 74 azanaphthalenes were reported using the Huckel method and compared with the lowest singlet-singlet transition with the Pariser-Parr method.