Paul S Bagus, Ph.D.

2001- Chemistry University of North Texas, Denton, TX, United States 
"Surface Chemistry, Electronic Structure Theory, Core-Level Spectroscopies"
"Paul Bagus"
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Bagus PS, Nelin CJ, Brundle CR, et al. (2020) Analysis of the Fe 2p XPS for hematite α FeO: Consequences of covalent bonding and orbital splittings on multiplet splittings. The Journal of Chemical Physics. 152: 014704
Bagus PS, Brundle CR, Ilton ES. (2020) A rigorous non-empirical theoretical analysis of the 2p XPS of NiO: Is it necessary to invoke nonlocal screening? Journal of Electroanalytical Chemistry. 114135
Bagus PS, Illas F. (2020) Orbitals Permit the Interpretation of Core-Level Spectroscopies in Terms of Chemistry Catalysis Letters. 150: 2457-2463
Bagus PS, Nelin CJ, Levchenko SV, et al. (2019) Surface core level BE shifts for CaO(100): insights into physical origins. Physical Chemistry Chemical Physics : Pccp
Bagus PS, Sassi MJ, Rosso KM. (2019) Cluster embedding of ionic systems: Point charges and extended ions. The Journal of Chemical Physics. 151: 044107
Sousa C, Bagus PS, Illas F. (2019) Approaching multiplet splitting in X-ray photoelectron spectra by density functional theory methods: NO and O2 molecules as examples Chemical Physics Letters. 731: 136617
Bagus PS, Sousa C, Illas F. (2019) Differential many-body effects for initial and core ionic states: impact on XPS spectra Theoretical Chemistry Accounts. 138: 61
Bagus PS, Nelin CJ, Sassi M, et al. (2018) Consequences of realistic embedding for the L2,3 edge XAS of α-Fe2O3. Physical Chemistry Chemical Physics : Pccp
Bagus PS, Ilton E, Nelin CJ. (2018) Extracting Chemical Information from XPS Spectra: A Perspective Catalysis Letters. 148: 1785-1802
Bagus PS, Nelin CJ, Ilton ES, et al. (2017) Analysis of X-ray adsorption edges: L2,3 edge of FeCl4. The Journal of Chemical Physics. 147: 224306
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