| 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 | 1246 | 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 | 749 | 1965 |
| Methods in Computational Physics CCJ Roothaan, PS Bagus Quantum Mechanics, 1963 | 692 | 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 | 619 | 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 | 567 | 2006 |
| Encyclopedia of computational chemistry P von Ragué Schleyer, NL Allinger, T Clark, J Gasteiger, P Kollman, ... J. Wiley & Sons, 1998 | 437 | 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 | 410 | 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 | 384 | 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 | 350 | 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 | 338 | 1999 |
| The interpretation of XPS spectra: Insights into materials properties PS Bagus, ES Ilton, CJ Nelin Surface Science Reports 68 (2), 273-304, 2013 | 318 | 2013 |
| Prediction of new multiplet structure in photoemission experiments PS Bagus, AJ Freeman, F Sasaki Physical review letters 30 (18), 850, 1973 | 298 | 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 | 291 | 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 | 283 | 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 | 269 | 1977 |
| Bonding of CO to metal surfaces: a new interpretation PS Bagus, CJ Nelin, CW Bauschlicher Jr Physical Review B 28 (10), 5423, 1983 | 252 | 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 | 248 | 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 | 229 | 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 | 224 | 1987 |
