オープン アクセスを義務付けられた論文 - Paul S Bagus詳細
一般には非公開: 18 件
Work function changes induced by charged adsorbates: Origin of the polarity asymmetry
PS Bagus, D Käfer, G Witte, C Wöll
Physical review letters 100 (12), 126101, 2008
委任: German Research Foundation
Extracting chemical information from XPS spectra: a perspective
PS Bagus, E Ilton, CJ Nelin
Catalysis Letters 148, 1785-1802, 2018
委任: US Department of Energy
A new mechanism for XPS line broadening: the 2p-XPS of Ti (IV)
PS Bagus, CJ Nelin, CR Brundle, SA Chambers
The Journal of Physical Chemistry C 123 (13), 7705-7716, 2018
委任: US Department of Energy
First-Principles Fe L2,3-Edge and O K-Edge XANES and XMCD Spectra for Iron Oxides
M Sassi, CI Pearce, PS Bagus, E Arenholz, KM Rosso
The Journal of Physical Chemistry A 121 (40), 7613-7618, 2017
委任: US Department of Energy
Adsorption of benzene on coinage metals: a theoretical analysis using wavefunction-based methods
R Caputo, BP Prascher, V Staemmler, PS Bagus, C Wöll
The Journal of Physical Chemistry A 111 (49), 12778-12784, 2007
委任: German Research Foundation
Quantifying small changes in uranium oxidation states using XPS of a shallow core level
ES Ilton, Y Du, JE Stubbs, PJ Eng, AM Chaka, JR Bargar, CJ Nelin, ...
Physical Chemistry Chemical Physics 19 (45), 30473-30480, 2017
委任: US National Science Foundation, US Department of Energy
Chemical significance of x-ray photoelectron spectroscopy binding energy shifts: A Perspective
PS Bagus, CJ Nelin, CR Brundle
Journal of Vacuum Science & Technology A 41 (6), 2023
委任: US Department of Energy
Accuracy limitations for composition analysis by XPS using relative peak intensities: LiF as an example
CR Brundle, BV Crist, PS Bagus
Journal of Vacuum Science & Technology A 39 (1), 2021
委任: US Department of Energy
Comments on the theory of complex XPS spectra: extracting chemical information from the Fe 3p XPS of Fe oxides
PS Bagus, CJ Nelin, CR Brundle, BV Crist, N Lahiri, KM Rosso
Comments on Inorganic Chemistry 41 (6), 373-397, 2021
委任: US Department of Energy
Orbitals permit the interpretation of core-level spectroscopies in terms of chemistry
PS Bagus, F Illas
Catalysis Letters 150, 2457-2463, 2020
委任: US Department of Energy, Government of Spain
Consequences of realistic embedding for the L 2, 3 edge XAS of α-Fe 2 O 3
PS Bagus, CJ Nelin, M Sassi, ES Ilton, KM Rosso
Physical Chemistry Chemical Physics 20 (6), 4396-4403, 2018
委任: US Department of Energy
Ionic adsorbates on metal surfaces
PS Bagus, A Wieckowski, C Wöll
International Journal of Quantum Chemistry 110 (15), 2844-2859, 2010
委任: German Research Foundation
Shake loss intensities in x-ray photoelectron spectroscopy: Theory, experiment, and atomic composition accuracy for MgO and related compounds
PS Bagus, CR Brundle, B Vincent Crist
Journal of Vacuum Science & Technology A 39 (6), 2021
委任: US Department of Energy
XPS binding energy shifts as a function of bond distances: a case study of CO
PS Bagus, C Sousa, F Illas
Journal of Physics: Condensed Matter 34 (15), 154004, 2022
委任: US Department of Energy, Government of Spain
Electronic Structure of Actinyls: Orbital Properties
PS Bagus, CJ Nelin, KM Rosso, B Schacherl, T Vitova
Inorganic Chemistry 63 (4), 1793-1802, 2024
委任: US Department of Energy, European Commission
Computation of vibrational excitations in XPS spectroscopy
PS Bagus, CJ Nelin
Rare Earth Elements and Actinides: Progress in Computational Science …, 2021
委任: US Department of Energy
Actinyl electronic structure probed by XAS: The role of many-body effects
PS Bagus, CJ Nelin, B Schacherl, T Vitova
Inorganic Chemistry 63 (29), 13202-13213, 2024
委任: European Commission
Bonding and Interactions in UO22+ for Ground and Core Excited States: Extracting Chemistry from Molecular Orbital Calculations
PS Bagus, CJ Nelin, B Schacherl, T Vitova, R Polly
The Journal of Physical Chemistry A 128 (38), 8024-8034, 2024
委任: European Commission
一般公開: 45 件
The role of the 5f valence orbitals of early actinides in chemical bonding
T Vitova, I Pidchenko, D Fellhauer, PS Bagus, Y Joly, T Pruessmann, ...
Nature communications 8 (1), 16053, 2017
委任: US Department of Energy, German Research Foundation, Helmholtz Association
Combined multiplet theory and experiment for the Fe 2p and 3p XPS of FeO and Fe2O3
PS Bagus, CJ Nelin, CR Brundle, BV Crist, N Lahiri, KM Rosso
The Journal of Chemical Physics 154 (9), 2021
委任: US Department of Energy
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