Paul S Bagus
Paul S Bagus
Research Professor of Chemistry, University of North Texas
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Cited by
Cited by
Simple model for thin ferromagnetic films exchange coupled to an antiferromagnetic substrate
D Mauri, HC Siegmann, PS Bagus, E Kay
Journal of Applied Physics 62 (7), 3047-3049, 1987
Self-consistent-field wave functions for hole states of some Ne-like and Ar-like ions
PS Bagus
Physical Review 139 (3A), A619, 1965
Methods in Computational Physics
CCJ Roothaan, PS Bagus
Quantum Mechanics, 1963
A new analysis of charge transfer and polarization for ligand–metal bonding: Model studies of Al4CO and Al4NH3
PS Bagus, K Hermann, CW Bauschlicher Jr
The Journal of chemical physics 80 (9), 4378-4386, 1984
Size effects in electronic and catalytic properties of unsupported palladium nanoparticles in electrooxidation of formic acid
WP Zhou, A Lewera, R Larsen, RI Masel, PS Bagus, A Wieckowski
The Journal of Physical Chemistry B 110 (27), 13393-13398, 2006
Encyclopedia of computational chemistry
P von Ragué Schleyer, NL Allinger, T Clark, J Gasteiger, P Kollman, ...
J. Wiley & Sons, 1998
On the nature of the bonding of lone pair ligands to a transition metal
PS Bagus, K Hermann, CW Bauschlicher Jr
The Journal of chemical physics 81 (4), 1966-1974, 1984
Exchangelike effects for closed-shell adsorbates: Interface dipole and work function
PS Bagus, V Staemmler, C Wöll
Physical Review Letters 89 (9), 096104, 2002
Localized and Delocalized 1s Hole States of the Molecular Ion
PS Bagus, HF Schaefer III
The Journal of chemical physics 56 (1), 224-226, 1972
Multiplet splitting of core-electron binding energies in transition-metal ions
CS Fadley, DA Shirley, AJ Freeman, PS Bagus, JV Mallow
Physical Review Letters 23 (24), 1397, 1969
Mechanisms responsible for chemical shifts of core-level binding energies and their relationship to chemical bonding
PS Bagus, F Illas, G Pacchioni, F Parmigiani
Journal of electron spectroscopy and related phenomena 100 (1-3), 215-236, 1999
The interpretation of XPS spectra: Insights into materials properties
PS Bagus, ES Ilton, CJ Nelin
Surface Science Reports 68 (2), 273-304, 2013
Prediction of new multiplet structure in photoemission experiments
PS Bagus, AJ Freeman, F Sasaki
Physical review letters 30 (18), 850, 1973
Vacuum level alignment at organic/metal junctions:“Cushion” effect and the interface dipole
G Witte, S Lukas, PS Bagus, C Wöll
Applied Physics Letters 87 (26), 263502, 2005
Size dependence of surface cluster models: CO adsorbed on Cu (100)
K Hermann, PS Bagus, CJ Nelin
Physical Review B 35 (18), 9467, 1987
Structure and energetics of simple carbenes methylene, fluoromethylene, chloromethylene, bromomethylene, difluoromethylene, and dichloromethylene
CW Bauschlicher Jr, HF Schaefer III, PS Bagus
Journal of the American Chemical Society 99 (22), 7106-7110, 1977
Bonding of CO to metal surfaces: a new interpretation
PS Bagus, CJ Nelin, CW Bauschlicher Jr
Physical Review B 28 (10), 5423, 1983
Molecular orbital cluster model study of bonding and vibrations of CO adsorbed on MgO surface
G Pacchioni, G Cogliandro, PS Bagus
International journal of quantum chemistry 42 (5), 1115-1139, 1992
Ab initio cluster study of the interaction of fluorine and chlorine with the Si (111) surface
M Seel, PS Bagus
Physical Review B 28 (4), 2023, 1983
Field-induced vibrational frequency shifts of CO and CN chemisorbed on Cu (100)
PS Bagus, CJ Nelin, W Müller, MR Philpott, H Seki
Physical review letters 58 (6), 559, 1987
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