@article {CHONG2023147359,
	title = {DFT computation of the photoemission spectra of acrylamide vapor},
	journal = {Journal of Electron Spectroscopy and Related Phenomena},
	volume = {266},
	year = {2023},
	pages = {147359},
	abstract = {Synchrontron radiation enabled recent measurement of the complete photoemission spectrum of acrylamide reported by Evangelisti et al. in Photochem. 2 (2022) 463. It seems to be a pity that calculation with the usually reliable ab initio method SAC-CI did not produce good agreement with experiment. In the present study, we use density functional theory methods in order to improve the agreement between experiment and theory. Such agreement helps to validate the DFT methods used. Our DFT results also suggest that two peaks in the N1s X-ray absorptiom spectrum have been incorrectly assigned.},
	keywords = {Acrylamide vapor, Core electrons, DFT computations, Valence electrons, Vertical ionization energies, X-ray absorption spectra},
	issn = {0368-2048},
	doi = {https://doi.org/10.1016/j.elspec.2023.147359},
	url = {https://www.sciencedirect.com/science/article/pii/S0368204823000762},
	author = {Delano P. Chong}
}
