@article {2392, title = {Theoretical study of the electronic spectra of s-triazine vapour}, journal = {Canadian Journal of Chemistry-Revue Canadienne De Chimie}, volume = {87}, number = {8}, year = {2009}, note = {ISI Document Delivery No.: 493VQTimes Cited: 3Cited Reference Count: 37Chong, Delano P.}, month = {Aug}, pages = {1148-1153}, type = {Article}, abstract = {The ionization and excitation spectra of valence and core electrons of s-triazine in the gas phase are studied with ab initio, density functional, and semi-empirical methods. The results are compared with available experimental data and previous calculations. New estimates are proposed for the ionization energies of both valence and core electrons. The calculated excitation energies are consistent with experiment.}, keywords = {AB-INITIO, AZINES, core-electron binding energies, DENSITY-FUNCTIONAL THEORY, DFT, electron spectra, ESCA, EXCHANGE-CORRELATION POTENTIALS, EXCITATION-ENERGIES, excitations, HYDROGEN, IONIZATION-POTENTIALS, ionizations, MOLECULAR CALCULATIONS, N-2, photoelectron spectra, s-triazine, SPECTROSCOPY, UV absorption}, isbn = {0008-4042}, url = {://000269766800008}, author = {Chong, D. P.} }