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C. J. Nelin · SciRah

Researcher profile · Semantic Scholar

C. J. Nelin

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C. J. Nelin — researcher profile on SciRah

h-index: 32
Works: 79
Citations: 3,684

Most-cited papers

The interpretation of XPS spectra: Insights into materials properties
P. Bagus, E. Ilton, C. J. Nelin
2013403 citations
Semantic Scholar
Combined multiplet theory and experiment for the Fe 2p and 3p XPS of FeO and Fe2O3.
P. Bagus, C. J. Nelin, C. Brundle, B. Crist +2 more
2021Journal of Chemical Physics210 citations Open access
Semantic Scholar
Main and Satellite Features in the Ni 2p XPS of NiO.
P. Bagus, C. J. Nelin, C. Brundle, B. Crist +3 more
2022Inorganic Chemistry198 citations Open access
Semantic Scholar
Size dependence of surface cluster models: CO adsorbed on Cu(100).
K. Hermann, P. Bagus, C. J. Nelin
1987Physical Review B (Condensed Matter)185 citations
Semantic Scholar
Field-induced vibrational frequency shifts of CO and CN chemisorbed on Cu(100).
P. Bagus, C. J. Nelin, W. Müller, M. R. Philpott +1 more
1987Physical Review Letters158 citations
Semantic Scholar
High‐spin hydrocarbons
D. Klein, C. J. Nelin, S. Alexander, Frederick Albert Matsen IV
1982153 citations
Semantic Scholar
The nature of the bonding in XCO for X=Fe, Ni, and Cu
C. Bauschlicher, P. Bagus, C. J. Nelin, B. Roos
1986150 citations
Semantic Scholar
Chemical significance of x-ray photoelectron spectroscopy binding energy shifts: A Perspective
P. Bagus, C. J. Nelin, C. Brundle
2023Journal of Vacuum Science & Technology A144 citations Open access
Semantic Scholar
Bonding of CO to metal surfaces: A new interpretation
P. Bagus, C. J. Nelin, C. Bauschlicher
1983140 citations
Semantic Scholar
Analysis of the Fe 2p XPS for hematite α Fe2O3: Consequences of covalent bonding and orbital splittings on multiplet splittings.
P. Bagus, C. J. Nelin, C. Brundle, N. Lahiri +2 more
2020Journal of Chemical Physics122 citations
Semantic Scholar
The nature of the bonding of CN to metals and organic molecules
C. J. Nelin, P. Bagus, M. R. Philpott
1987121 citations
Semantic Scholar
Transition metal oxides: CrO, MoO, NiO, PdO, AgO
C. Bauschlicher, C. J. Nelin, P. Bagus
1985121 citations
Semantic Scholar
A proposal for the proper use of pseudopotentials in molecular orbital cluster model studies of chemisorption
P. Bagus, C. Bauschlicher, C. J. Nelin, B. Laskowski +1 more
1984114 citations
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Origin of the complex main and satellite features in Fe 2p XPS of Fe2O3.
P. Bagus, C. J. Nelin, C. R. Brundle, B. Crist +2 more
2022Physical Chemistry, Chemical Physics - PCCP92 citations
Semantic Scholar
Theoretical evidence for multiple 3d bondig in the V2 and Cr2 molecules
S. Walch, C. Bauschlicher, B. Roos, C. J. Nelin
198388 citations
Semantic Scholar
A New Mechanism For XPS Line Broadening: The 2p-XPS of Ti(IV)
P. Bagus, C. J. Nelin, C. Brundle, S. Chambers
2018Journal of Physical Chemistry C86 citations
Semantic Scholar
Extracting Chemical Information from XPS Spectra: A Perspective
P. Bagus, E. Ilton, C. J. Nelin
2018Catalysis Letters83 citations
Semantic Scholar
Core binding energies for clusters deposited on different insulating substrates: esca spectra and theoretical electronic structure studies
F. Parmigiani, E. Kay, P. Bagus, C. J. Nelin
198569 citations
Semantic Scholar
Analysis of the broadening of X-ray photoelectron spectroscopy peaks for ionic crystals.
C. J. Nelin, P. Bagus, Matthew A. Brown, M. Sterrer +1 more
2011Angewandte Chemie57 citations
Semantic Scholar
On the low-lying states of CuO
P. Bagus, C. J. Nelin, C. Bauschlicher
198352 citations
Semantic Scholar
On the nature of the low-lying states of TiO
C. Bauschlicher, P. Bagus, C. J. Nelin
198351 citations
Semantic Scholar
Complete active space (CAS) SCF and externally contracted multireference CI studies of atomic and molecular properties. Static dipole polarizabilities of F, F−, and Ne
C. J. Nelin, B. Roos, A. J. Sadlej, P. Siegbahn
198245 citations
Semantic Scholar
The complex core level spectra of CeO2: An analysis in terms of atomic and charge transfer effects
P. Bagus, C. J. Nelin, E. Ilton, Martin Baron +5 more
201041 citations Open access
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Relationships between complex core level spectra and materials properties
C. J. Nelin, P. Bagus, E. Ilton, S. Chambers +2 more
201039 citations
Semantic Scholar
Theoretical modeling of the uranium 4f XPS for U(VI) and U(IV) oxides.
P. Bagus, C. J. Nelin, E. Ilton
2013Journal of Chemical Physics37 citations
Semantic Scholar
Core level photoemission of the no dimer: Theory and Experimental realization for NO/Ag(111)
C. J. Nelin, P. Bagus, J. Behm, C. Brundle
198437 citations
Semantic Scholar
Understanding surface core-level shifts using the Auger parameter: A study of Pd atoms adsorbed on ultrathin SiO2 films
W. Kaden, C. Büchner, L. Lichtenstein, Stefanie Stuckenholz +8 more
201436 citations Open access
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Comments on the Theory of Complex XPS Spectra: Extracting Chemical Information from the Fe 3p XPS of Fe Oxides
P. Bagus, C. J. Nelin, C. Brundle, B. Crist +2 more
2021Comments on Modern Chemistry. Part A, Comments on Inorganic Chemistry34 citations
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Multiplet splitting for the XPS of heavy elements: Dependence on oxidation state
P. Bagus, C. J. Nelin, Yahya Al-Salik, E. Ilton +1 more
201634 citations Open access
Semantic Scholar
Supplemental basis functions for the second transition row elements
S. Walch, C. Bauschlicher, C. J. Nelin
198334 citations
Semantic Scholar
Covalency in Fe2O3 and FeO: Consequences for XPS satellite intensity.
P. Bagus, C. J. Nelin, C. Brundle, B. Crist +2 more
2020Journal of Chemical Physics33 citations Open access
Semantic Scholar
Surface core-level binding energy shifts for MgO(100).
C. J. Nelin, Felix Uhl, Volker Staemmler, P. Bagus +4 more
2014Physical Chemistry, Chemical Physics - PCCP32 citations Open access
Semantic Scholar
Unfilled Levels and Excited States of Adsorbates on Metal Surfaces
P. Avouris, P. Bagus, C. J. Nelin
198632 citations
Semantic Scholar
Covalent and ionic contributions to the bonding of atomic and molecular adsorbates on metal surfaces: A cluster model approach
G. Pacchioni, P. Bagus, M. R. Philpott, C. J. Nelin
199031 citations
Semantic Scholar
Covalent interactions in oxides
P. Bagus, C. J. Nelin
201429 citations
Semantic Scholar
Covalent bonding in heavy metal oxides.
P. Bagus, C. J. Nelin, D. Hrovat, E. Ilton
2017Journal of Chemical Physics26 citations
Semantic Scholar
Quantifying small changes in uranium oxidation states using XPS of a shallow core level.
E. Ilton, Ying-Ge Du, J. Stubbs, P. Eng +4 more
2017Physical Chemistry, Chemical Physics - PCCP26 citations
Semantic Scholar
Vibrational and electronic properties of cyanide adsorbed on metal electrodes
M. R. Philpott, P. Bagus, C. J. Nelin, H. Seki
198725 citations
Semantic Scholar
Revisiting surface core-level shifts for ionic compounds
P. Bagus, C. J. Nelin, Xun-Hua Zhao, S. Levchenko +6 more
2019Physical review B23 citations Open access
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On the low-lying states of WO: A comparison with CrO and MoO
C. J. Nelin, C. Bauschlicher
198521 citations
Semantic Scholar
Theoretical analysis of the U L3-edge NEXAFS in U oxides
C. J. Nelin, P. Bagus, E. Ilton
201419 citations
Semantic Scholar
X-ray photoelectron spectra for single-crystal T i 2 O 3 : Experiment and theory
S. Chambers, M. Engelhard, Lu-Min Wang, T. Droubay +7 more
201718 citations
Semantic Scholar
Reply to the comment by DiCenzo and Wertheim on “core binding energies for clusters⋯”
P. Bagus, C. J. Nelin, E. Kay, F. Parmigiani
198718 citations
Semantic Scholar
Spin‐Free Quantum Chemistry. XXI. Hartree–Fock theory
F. A. Matsen, C. J. Nelin
197918 citations
Semantic Scholar
Analysis of X-ray adsorption edges: L2,3 edge of FeCl4.
P. Bagus, C. J. Nelin, E. Ilton, M. Sassi +1 more
2017Journal of Chemical Physics16 citations Open access
Semantic Scholar
Chemical information from XPS: Theory and experiment for Ni(OH)2.
P. Bagus, C. J. Nelin, S. Mergelsberg, N. Lahiri +1 more
2024Journal of Chemical Physics15 citations Open access
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Surface core level BE shifts for CaO(100): insights into physical origins.
P. Bagus, C. J. Nelin, S. Levchenko, Xun-Hua Zhao +3 more
2019Physical Chemistry, Chemical Physics - PCCP15 citations Open access
Semantic Scholar
Consequences of realistic embedding for the L2,3 edge XAS of α-Fe2O3.
P. Bagus, C. J. Nelin, M. Sassi, E. Ilton +1 more
2018Physical Chemistry, Chemical Physics - PCCP13 citations
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Nature of the bonding for chemisorbed CO.
P. Bagus, K. Hermann, W. Müller, C. J. Nelin
1986Physical Review Letters12 citations
Semantic Scholar
Electronic structure of reduced CeO2(111) surfaces interacting with hydrogen as revealed through electron energy loss spectroscopy in comparison with theoretical investigations
J. Paier, C. J. Nelin, P. Bagus, Agata Płucienik +2 more
202111 citations Open access
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