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Results: 1-25/33
Authors:
GARCIAHERNANDEZ M
BAGUS PS
ILLAS F
Citation: M. Garciahernandez et al., A NEW ANALYSIS OF IMAGE CHARGE THEORY, Surface science, 409(1), 1998, pp. 69-80
Authors:
BAGUS PS
WOLL C
Citation: Ps. Bagus et C. Woll, ORIENTATIONAL EFFECTS IN MOLECULE-SURFACE INTERACTIONS - BONDING DIRECTIONALITY VERSUS STERIC REPULSION, Chemical physics letters, 294(6), 1998, pp. 599-604
Authors:
ILLAS F
BAGUS PS
RICART JM
Citation: F. Illas et al., UNTITLED - PREFACE, Journal of molecular catalysis. A, Chemical, 119(1-3), 1997, pp. 1-2
Authors:
BAGUS PS
CLOTET A
CURULLA D
ILLAS F
RICART JM
Citation: Ps. Bagus et al., CHARGE DISPLACEMENT ANALYSIS - A NEW GENERAL-METHOD TO ESTIMATE ATOMIC CHARGES IN MOLECULES AND CLUSTERS, Journal of molecular catalysis. A, Chemical, 119(1-3), 1997, pp. 3-10
Authors:
BAGUS PS
ILLAS F
CASANOVAS J
JIMENEZMATEOS JM
Citation: Ps. Bagus et al., NOVEL MECHANISMS FOR CORE-LEVEL SHIFTS IN ORGANIC-COMPOUNDS, Journal of electron spectroscopy and related phenomena, 83(2-3), 1997, pp. 151-158
Authors:
DEGRAAF C
BROER R
NIEUWPOORT WC
BAGUS PS
Citation: C. Degraaf et al., ON THE ROLE OF RELAXED CHARGE-TRANSFER EXCITATIONS - NI 3S HOLE STATES IN NIO, Chemical physics letters, 272(5-6), 1997, pp. 341-346
Authors:
BAGUS PS
ILLAS F
CASANOVAS J
Citation: Ps. Bagus et al., THE IMPORTANCE OF 2S BONDING CONTRIBUTIONS FOR THE CORE-LEVEL BINDING-ENERGIES IN ORGANIC-COMPOUNDS, Chemical physics letters, 272(3-4), 1997, pp. 168-172
Authors:
PACCHIONI G
FERRARI AM
BAGUS PS
Citation: G. Pacchioni et al., CLUSTER AND BAND-STRUCTURE AB-INITIO CALCULATIONS ON THE ADSORPTION OF CO ON ACID SITES OF THE TIO2(110) SURFACE, Surface science, 350(1-3), 1996, pp. 159-175
Authors:
SCHONNENBECK M
CAPPUS D
KLINKMANN J
FREUND HJ
PETTERSON LGM
BAGUS PS
Citation: M. Schonnenbeck et al., ADSORPTION OF CO AND NO ON NIO AND COO - A COMPARISON, Surface science, 347(3), 1996, pp. 337-345
Authors:
LORDA E
ILLAS F
BAGUS PS
Citation: E. Lorda et al., ELECTRONIC EFFECTS IN THE D-D SPECTRUM OF NIO, Chemical physics letters, 256(4-5), 1996, pp. 377-382
Authors:
BAGUS PS
FREUND HJ
MINERVA T
PACCHIONI G
PARMIGIANI F
Citation: Ps. Bagus et al., CHARGE-TRANSFER EFFECTS AND PHOTOEMISSION IN TRANSITION-METAL OXIDES, Chemical physics letters, 251(1-2), 1996, pp. 90-94
Authors:
BAGUS PS
WEISS K
SCHERTEL A
WOLL C
BRAUN W
HELLWIG C
JUNG C
Citation: Ps. Bagus et al., IDENTIFICATION OF TRANSITIONS INTO RYDBERG STATES IN THE X-RAY-ABSORPTION SPECTRA OF CONDENSED LONG-CHAIN ALKANES, Chemical physics letters, 248(3-4), 1996, pp. 129-135
Authors:
MAINKA C
BAGUS PS
SCHERTEL A
STRUNSKUS T
GRUNZE M
WOLL C
Citation: C. Mainka et al., LINEAR DICHROISM IN X-RAY-ABSORPTION SPECTROSCOPY OF STRONGLY CHEMISORBED PLANAR MOLECULES - ROLE OF ADSORPTION INDUCED REHYBRIDISATIONS, Surface science, 341(3), 1995, pp. 1055-1060
Authors:
BAGUS PS
PACCHIONI G
Citation: Ps. Bagus et G. Pacchioni, IONIC AND COVALENT ELECTRONIC STATES FOR K-ADSORBED ON CU-5 AND CU-25CLUSTER-MODELS OF THE CU(100) SURFACE, The Journal of chemical physics, 102(2), 1995, pp. 879-887
Authors:
SANGALETTI L
DEPERO LE
BAGUS PS
PARMIGIANI F
Citation: L. Sangaletti et al., A PROPER ANDERSON-HAMILTONIAN TREATMENT OF THE 3S PHOTOELECTRON-SPECTRA OF MNO, FEO, COO AND NIO, Chemical physics letters, 245(4-5), 1995, pp. 463-468
Authors:
SOUSA C
ILLAS F
RICART JM
BAGUS PS
Citation: C. Sousa et al., THEORETICAL EVIDENCE FOR THE EXISTENCE OF EXCITONS IN MGO, Chemical physics letters, 239(4-6), 1995, pp. 263-266
Authors:
BAGUS PS
PACCHIONI G
Citation: Ps. Bagus et G. Pacchioni, SPECIAL ISSUE - CLUSTER APPROACH TO THE CHEMISTRY AND PHYSICS OF SURFACES AND INTERFACES - PREFACE, Journal of electron spectroscopy and related phenomena, 69(1), 1994, pp. 180000007-180000007
Authors:
PACCHIONI G
BAGUS PS
Citation: G. Pacchioni et Ps. Bagus, THEORETICAL-ANALYSIS OF THE O(1S) BINDING-ENERGY SHIFTS IN ALKALINE-EARTH OXIDES - CHEMICAL OR ELECTROSTATIC CONTRIBUTIONS, Physical review. B, Condensed matter, 50(4), 1994, pp. 2576-2581
Authors:
RICART JM
RUBIO J
ILLAS F
BAGUS PS
Citation: Jm. Ricart et al., CLUSTER MODEL DESCRIPTION OF THE CHEMISORPTION BOND - EFFECT OF THE CLUSTER MODEL ELECTRONIC-STATE, Surface science, 304(3), 1994, pp. 335-342
Authors:
FERNANDEZGARCIA M
CONESA JC
BAGUS PS
RUBIO J
ILLAS F
Citation: M. Fernandezgarcia et al., BONDING GEOMETRY AND MECHANISM OF NO ADSORBED ON CU2O(111) - NO ACTIVATION BY CU(+) CATIONS, The Journal of chemical physics, 101(11), 1994, pp. 10134-10139
Authors:
BAGUS PS
ILLAS F
SOUSA C
Citation: Ps. Bagus et al., EXCITED-STATES OF MGO - A CLUSTER MODEL STUDY, The Journal of chemical physics, 100(4), 1994, pp. 2943-2946
Authors:
BAGUS PS
MALLOW JV
Citation: Ps. Bagus et Jv. Mallow, AN ATOMIC MODEL FOR THE SPIN-POLARIZED PHOTOEMISSION SPECTRA OF FE, Chemical physics letters, 228(6), 1994, pp. 695-700
Authors:
BAGUS PS
ILLAS F
Citation: Ps. Bagus et F. Illas, SHIFTS IN ADSORBATE VIBRATIONAL FREQUENCIES DUE TO INTERNAL ELECTRIC-FIELDS, Chemical physics letters, 224(5-6), 1994, pp. 576-580
Authors:
SOUSA C
MINERVA T
PACCHIONI G
BAGUS PS
PARMIGIANI F
Citation: C. Sousa et al., ELECTROSTATIC AND CHEMICAL BONDING CONTRIBUTIONS TO THE CATION CORE-LEVEL BINDING-ENERGY SHIFTS IN MGO, CAO, SRO, BAO - A CLUSTER MODEL STUDY, Journal of electron spectroscopy and related phenomena, 63(3), 1993, pp. 189-205
Authors:
PACCHIONI G
BAGUS PS
Citation: G. Pacchioni et Ps. Bagus, PROMOTION BY ALKALI-METALS - A THEORETICAL-ANALYSIS OF THE VIBRATIONAL SHIFT OF CO COADSORBED WITH K ON CU(100), Chemical physics, 177(2), 1993, pp. 373-385