Paul S Bagus, Ph.D.
Affiliations: | 2001- | Chemistry | University of North Texas, Denton, TX, United States |
Area:
"Surface Chemistry, Electronic Structure Theory, Core-Level Spectroscopies"Website:
https://chemistry.unt.edu/people-node/paul-bagusGoogle:
"Paul Bagus"Mean distance: (not calculated yet)
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Publications
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| Bagus PS, Nelin CJ, Schacherl B, et al. (2024) Bonding and Interactions in UO for Ground and Core Excited States: Extracting Chemistry from Molecular Orbital Calculations. The Journal of Physical Chemistry. A. 128: 8024-8034 |
| 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 |