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1.
Theoretical analysis of the O(1s) binding-energy shifts in alkaline-earth oxides: Chemical or electrostatic contributions.
Pacchioni G; Bagus PS.
Phys Rev B Condens Matter ; 50(4): 2576-2581, 1994 Jul 15.
Article in English | MEDLINE | ID: mdl-9976479
2.
Core-level binding-energy shifts due to ionic adsorbates.
Bagus PS; Pacchioni G.
Phys Rev B Condens Matter ; 48(20): 15262-15273, 1993 Nov 15.
Article in English | MEDLINE | ID: mdl-10008062
3.
Surface-bulk core-level binding-energy shifts for Al(100).
Bagus PS; Pacchioni G.
Phys Rev B Condens Matter ; 48(20): 15274-15282, 1993 Nov 15.
Article in English | MEDLINE | ID: mdl-10008063
4.
Measures of ionicity of alkaline-earth oxides from the analysis of ab initio cluster wave functions.
Pacchioni G; Sousa C; Illas F; Parmigiani F; Bagus PS.
Phys Rev B Condens Matter ; 48(16): 11573-11582, 1993 Oct 15.
Article in English | MEDLINE | ID: mdl-10007494
5.
Ionicity of alkali-metal adsorbates.
Bagus PS; Pacchioni G.
Phys Rev Lett ; 71(1): 206, 1993 Jul 05.
Article in English | MEDLINE | ID: mdl-10054413
6.
Evidence for oxygen-island formation on Al(111): Cluster-model theory and x-ray photoelectron spectroscopy.
Bagus PS; Brundle CR; Illas F; Parmigiani F; Polzonetti G.
Phys Rev B Condens Matter ; 44(16): 9025-9034, 1991 Oct 15.
Article in English | MEDLINE | ID: mdl-9998865
7.
Origin of the Ba core-level binding-energy difference between tetragonal and orthorhombic YBa2Cu3O7- delta.
Parmigiani F; Pacchioni G; Brundle CR; Fowler DE; Bagus PS.
Phys Rev B Condens Matter ; 43(4): 3695-3698, 1991 Feb 01.
Article in English | MEDLINE | ID: mdl-9997696
8.
Surface core-level spectroscopy of Cu(100) and Al(100).
Bagus PS; Pacchioni G; Parmigiani F.
Phys Rev B Condens Matter ; 43(6): 5172-5175, 1991 Feb 15.
Article in English | MEDLINE | ID: mdl-9997903
9.
Theoretical analysis of the bonding of oxygen to Cu(100).
Bagus PS; Illas F.
Phys Rev B Condens Matter ; 42(17): 10852-10857, 1990 Dec 15.
Article in English | MEDLINE | ID: mdl-9995360
10.
Surface electronic structure of heavily-ion-implanted and laser-annealed Si single crystals.
Parmigiani F; Bagus PS; Pacchioni G; Stella A.
Phys Rev B Condens Matter ; 41(6): 3728-3732, 1990 Feb 15.
Article in English | MEDLINE | ID: mdl-9994174
11.
Point-charge effects on the vibrational frequency of CO chemisorbed on Cu and Pd clusters: A model for CO with ionic coadsorbates.
Pacchioni G; Bagus PS.
Phys Rev B Condens Matter ; 40(9): 6003-6011, 1989 Sep 15.
Article in English | MEDLINE | ID: mdl-9992666
12.
Ferromagnetic spin interactions between benzene anions: Molecular-orbital analysis and the Hubbard model.
Bagus PS; Torrance JB.
Phys Rev B Condens Matter ; 39(10): 7301-7304, 1989 Apr 01.
Article in English | MEDLINE | ID: mdl-9947394
13.
Magnetic properties of the (100) surface of Fe.
Siegmann HC; Bagus PS.
Phys Rev B Condens Matter ; 38(15): 10434-10439, 1988 Nov 15.
Article in English | MEDLINE | ID: mdl-9945894
14.
Coupling of vibrational modes of adsorbates: Application to field-induced shifts for CO and CN on Cu(100).
Bagus PS; Nelin CJ; Hermann K; Philpott MR.
Phys Rev B Condens Matter ; 36(15): 8169-8172, 1987 Nov 15.
Article in English | MEDLINE | ID: mdl-9942623
15.
Self-consistent-field studies of core-level shifts in ionic crystals. II. MgO and BeO.
Broughton JQ; Bagus PS.
Phys Rev B Condens Matter ; 36(5): 2813-2830, 1987 Aug 15.
Article in English | MEDLINE | ID: mdl-9943168
16.
Size dependence of surface cluster models: CO adsorbed on Cu(100).
Hermann K; Bagus PS; Nelin CJ.
Phys Rev B Condens Matter ; 35(18): 9467-9473, 1987 Jun 15.
Article in English | MEDLINE | ID: mdl-9941371
17.
Field-induced vibrational frequency shifts of CO and CN chemisorbed on Cu(100).
Bagus PS; Nelin CJ; Müller W; Philpott MR; Seki H.
Phys Rev Lett ; 58(6): 559-562, 1987 Feb 09.
Article in English | MEDLINE | ID: mdl-10034972
18.
Scattering of helium from O/Ni(001): Cluster-model studies.
Bagus PS; Nelin CJ; Batra IP; Bauschlicher CW.
Phys Rev B Condens Matter ; 35(2): 441-451, 1987 Jan 15.
Article in English | MEDLINE | ID: mdl-9941423
19.
Nature of the bonding for chemisorbed CO.
Bagus PS; Hermann K; Müller W; Nelin CJ.
Phys Rev Lett ; 57(12): 1496, 1986 Sep 22.
Article in English | MEDLINE | ID: mdl-10033464
20.
Adsorbate ionicity and surface-dipole-moment changes: Cluster-model studies of Cl/Cu(100) and F/Cu(100).
Pettersson LG; Bagus PS.
Phys Rev Lett ; 56(5): 500-503, 1986 Feb 03.
Article in English | MEDLINE | ID: mdl-10033208
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