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
1287 1987 Encyclopedia of computational chemistry P von Ragué Schleyer, NL Allinger, T Clark, J Gasteiger, P Kollman, ...
J. Wiley & Sons, 1998
825 * 1998 Self-consistent-field wave functions for hole states of some Ne-like and Ar-like ions PS Bagus
Physical Review 139 (3A), A619, 1965
801 1965 Methods in Computational Physics CCJ Roothaan, PS Bagus
Quantum Mechanics, 1963
689 1963 A new analysis of charge transfer and polarization for ligand–metal bonding: Model studies of Al4 CO and Al4 NH3 PS Bagus, K Hermann, CW Bauschlicher Jr
The Journal of chemical physics 80 (9), 4378-4386, 1984
631 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
591 2006 The interpretation of XPS spectra: Insights into materials properties PS Bagus, ES Ilton, CJ Nelin
Surface Science Reports 68 (2), 273-304, 2013
430 2013 Exchangelike effects for closed-shell adsorbates: Interface dipole and work function PS Bagus, V Staemmler, C Wöll
Physical Review Letters 89 (9), 096104, 2002
428 2002 On the nature of the bonding of lone pair ligands to a transition metal PS Bagus, K Hermann, CW Bauschlicher
The Journal of chemical physics 81 (4), 1966-1974, 1984
412 1984 Localized and Delocalized 1s Hole States of the PS Bagus, HF Schaefer III
The Journal of Chemical Physics 56 (1), 224-226, 1972
403 1972 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
365 1999 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
358 1969 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), 2005
312 2005 Prediction of new multiplet structure in photoemission experiments PS Bagus, AJ Freeman, F Sasaki
Physical review letters 30 (18), 850, 1973
303 1973 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
289 1977 Size dependence of surface cluster models: CO adsorbed on Cu (100) K Hermann, PS Bagus, CJ Nelin
Physical Review B 35 (18), 9467, 1987
288 1987 Bonding of CO to metal surfaces: a new interpretation PS Bagus, CJ Nelin, CW Bauschlicher Jr
Physical Review B 28 (10), 5423, 1983
261 1983 XPS determination of uranium oxidation states ES Ilton, PS Bagus
Surface and Interface Analysis 43 (13), 1549-1560, 2011
259 2011 Spectroscopic evidence for Ag (III) in highly oxidized silver films by X-ray photoelectron spectroscopy TC Kaspar, T Droubay, SA Chambers, PS Bagus
The Journal of Physical Chemistry C 114 (49), 21562-21571, 2010
249 2010 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
248 1992 