@article {34115, title = {Computational Study of the Electron Spectra of Vapor-Phase Indole and Four Azaindoles}, journal = {Molecules}, volume = {26}, year = {2021}, pages = {1947}, abstract = {

After geometry optimization, the electron spectra of indole and four azaindoles are calculated by density functional theory. Available experimental photoemission and excitation data for indole and 7-azaindole are used to compare with the theoretical values. The results for the other azaindoles are presented as predictions to help the interpretation of experimental spectra when they become available.

}, issn = {1420-3049}, doi = {10.3390/molecules26071947}, url = {https://www.mdpi.com/1420-3049/26/7/1947}, author = {Chong, Delano P.} }