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
1267 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
776 1965 Atomic self-consistent field calculations by the expansion method CCJ Roothaan, PS Bagus
Methods in computational physics 2, 47-94, 1963
699 * 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
622 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
579 2006 Encyclopedia of computational chemistry PR Schleyer
(No Title), 1998
466 1998 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
407 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
405 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
396 1972 The interpretation of XPS spectra: Insights into materials properties PS Bagus, ES Ilton, CJ Nelin
Surface Science Reports 68 (2), 273-304, 2013
380 2013 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 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
344 1999 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
303 2005 Prediction of new multiplet structure in photoemission experiments PS Bagus, AJ Freeman, F Sasaki
Physical review letters 30 (18), 850, 1973
299 1973 Size dependence of surface cluster models: CO adsorbed on Cu (100) K Hermann, PS Bagus, CJ Nelin
Physical Review B 35 (18), 9467, 1987
285 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
281 1977 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 Bonding of CO to metal surfaces: a new interpretation PS Bagus, CJ Nelin, CW Bauschlicher Jr
Physical Review B 28 (10), 5423, 1983
244 1983 Characterization of oxide surfaces by infrared spectroscopy of adsorbed carbon monoxide: a theoretical investigation of the frequency shift of CO on MgO and NiO G Pacchioni, G Cogliandro, PS Bagus
Surface science 255 (3), 344-354, 1991
232 1991 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
230 2010