JOURNAL OF ELECTRON SPECTROSCOPY and Related Phenomena Journal of Electron Spectroscopy and Related Phenomena 69 (1994) 259 Author index Adams, D.B. 117 Hwang, S.-D. 111 Pettersson, L.G.M. 43 Aksela, H. 181 Pisani, C. 1 Illas, F. 65 Aksela, S. 181 Protopopov, O.D. 159 Asfandiarov, N.L. 165 Jauhiainen, J. 181 Ricart, J.M. 65 Ausmees, A. 181 Jing, Z. 23 Rosch, N. 13, 31 Bancroft, G.M. 111 Khvostenko, V.I. 165 Ross, A.W. 189 Bart, F. 245 Kikuma, J. 141 Rovida, G. 81 Biermann, M. 239 Kishi, K. 133 Russo, N. 81 Birkenheuer, U. 31 Kivimaki, A. 181 Sekine, T. 141 Bourcet, A. 55 Konishi, T. 141 Smith, L.K. 189 Broer, R. 73 Kriiger,S. 31 Sousa, C. 65 Byun, D. 111 Lee, S. 111 Spencer, J.T. 111 Chua, Y.T. 177 Lisini, A. 197, 207 Staemmler, V. 99 Clotet, A. 65 Stener, M. 197 Cora, F. 1 Ma, J. 111 Svensson, S. 181 McLean, A.B. 125 Swanston, D.M. 125 De Alti, G. 207 Mitchell, C.E.J. 125 Decleva, P. 197, 207 Mok, C.Y. 177 Tantardini, G.F. 55 Dovesi, R. 1 Muftakhov, M.V. 165 Thromat, N. 245 Dowben, P.A. 111 Thuesen, L.H. 189 Duraud, J.P. 245 Naves de Brito, A. 181 Tokarz, R. 89 Neeb, M. 239 Eberhardt, W. 239 Trubitsyn, A.A. 159 Nefedov, V.I. 149 Fink, M. 189 Neyman, K.M. 13 van der Waals, J.H. 73 Freitag, J. 99 Ng, S.C. 177 Wellenstein, H.F. 189 Fronzoni, G. 207 Nieuwpoort, W.C. 73 Whitten, J.L. 23 Novak, I. 177 Gautier, M. 245 Witko, M. 89 Nygren, M.A. 43 Glass, Jr., J.A. 111 Xie, C. 189 Guittet, M.J. 245 Ohno, M. 225 Orlando, R. 1 Yagasaki, E. 133 Henriot, M. 245 Osborne, S.J. 181 Yang, H. 23 Hermann, K. 89 Yarzhemsky, V.G. 149 Hu, Y.-F. 111 Pacchioni, G. 13 Huang, H.H. 177 Pedocchi, L. 81 Zhang, J. 111 JOURNAL OF ELECTRON SPECTROSCOPY and Related Phenomena Journal of Electron Spectroscopy and Related Phenomena 69 (1994) 261—265 Subject index Accuracy Carbon monoxide Implementation of an efficient analytical approxima- CO adsorption on the (001) surface of MgO: a com- tion to the Voigt function for photoemission lineshape parison of Hartree—Fock and local density functional analysis 125 results 13 Adsorbate Carborane Core hole screening mechanism of adsorbates 225 Photoemission from gaseous and condensed molecu- Adsorption lar carborane cluster molecules 111 A theoretical study of the adsorption dynamics of Charge transfer hydrogen on Ni(111) surface 55 Effective atomic charges and charge transfer after Ab initio and semiempirical cluster studies on the photoionization in sulfur compounds and phosphorus reactivity of the vanadium pentoxide (010) surface compounds 149 89 Cl Ab initio calculations for the adsorption of small Ab initio CI investigation of valence photoelectron molecules on metal oxide surfaces. Part 3. Adsorption spectra of conjugated hydrocarbons 207 of H and CH; radicals on NiO(100) 99 Cluster Adsorption of small molecules on metal oxides 43 A theoretical study of the adsorption dynamics of Density functional approach to moderately large hydrogen on Ni(111) surface 55 cluster embedding for infinite metal substrates 31 Ab initio calculations for the adsorption of small Reaction of CH, and CH;F with Si(111) 23 molecules on metal oxide surfaces. Part 3. Adsorption AES of H and CH; radicals on NiO(100) 99 Polymer analysis by Auger electron spectroscopy Adsorption of small molecules on metal oxides using sectioning and cryogenic cooling 141 43 Approximation CO adsorption on the (001) surface of MgO: a com- Implementation of an efficient analytical approxima- parison of Hartree—Fock and local density functional tion to the Voigt function for photoemission lineshape results 13 analysis 125 Density functional approach to moderately large Auger cluster embedding for infinite metal substrates A method to determine a transmission correction for 31 electron spectrometers using synchrotron radiation Embedded-cluster and super-cell treatment of 181 charged defects in crystals 1 Polymer analysis by Auger electron spectroscopy Inner and valence shell photoelectron spectra calcu- using sectioning and cryogenic cooling 141 lated by the density functional method 81 Photoemission from gaseous and condensed molecu- Bifuran lar carborane cluster molecules 111 He II photoelectron spectra of bifurans and thienyl- Reaction of CH, and CH;3F with Si(111) 23 furans 177 The lower excited states of a Cu* impurity in NaF: Binding energy localized or not? 73 Ab initio calculations for the adsorption of small Valence bond reading of ab initio molecular orbital molecules on metal oxide surfaces. Part 3. Adsorption cluster model wavefunctions: the nature of chemical of H and CH; radicals on NiO(100) 99 bond in corundum 65 Condensed phase CASSCF Photoemission from gaseous and condensed molecu- Adsorption of small molecules on metal oxides 43 lar carborane cluster molecules 111 262 Subject Index/J. Electron Spectrosc. Relat. Phenom. 69 (1994) 261-265 Configuration interaction Adsorption of small molecules on metal oxides 43 Ab initio CI investigation of valence photoelectron Density functional approach to moderately large spectra of conjugated hydrocarbons 207 cluster embedding for infinite metal substrates 31 Conical system Embedded-cluster and super-cell treatment of Quasi-conical energy analyzers for electron spec- charged defects in crystals 1 troscopy 159 The lower excited states of a Cu* impurity in NaF: Copper localized or not? 73 The lower excited states of a Cu* impurity in NaF: Equipment _ localized or not? 73 Design of a 90 degree spherical deflection analyzer Core 189 LCAO density functional calculations of core binding Ethanal energy shifts of large molecules 197 Full geometry optimizations of core ionized species Core hole and their equivalent core ions: an ab initio study Core hole screening mechanism of adsorbates of energies, geometries, charges and vibrational 225 frequencies 117 High resolution studies of the electronic decay of core holes in molecules: there is no threshold at the “XPS Flood gun threshold” 239 Surface analysis of wide gap insulators with XPS 245 Corundum Fluoromethane Valence bond reading of ab initio molecular orbital Reaction of CH, and CH;F with Si(111) 23 cluster model wavefunctions: the nature of chemical Fringe field bond in corundum 65 Design of a 90 degree spherical deflection analyzer Cryogenic cooling 189 Polymer analysis by Auger electron spectroscopy Furan using sectioning and cryogenic cooling 141 Resonant dissociative attachment of electrons to Cu(110) molecules of five-membered heterocyclic compounds Formation of ultrathin films of iron oxide on and lactams 165 Cu(110) 133 Gas DF Photoemission from gaseous and condensed molecu- Density functional approach to moderately large lar carborane cluster molecules 111 cluster embedding for infinite metal substrates 31 Geometry optimization Inner and valence shell photoelectron spectra calcu- Full geometry optimizations of core ionized species lated by the density functional method 81 and their equivalent core ions: an ab initio study of energies, geometries, charges and vibrational EARE frequencies 117 Effective atomic charges and charge transfer after photoionization in sulfur compounds and phosphorus Hartree—Fock compounds 149 Ab initio and semiempirical cluster studies on the Effective atomic charge reactivity of the vanadium pentoxide (010) surface Effective atomic charges and charge transfer after 89 photoionization in sulfur compounds and phosphorus CO adsorption on the (001) surface of MgO: a com- compounds 149 parison of Hartree—Fock and local density functional Electron spectrometer results 13 A method to determine a transmission correction for Embedded-cluster and super-cell treatment of + electron spectrometers using synchrotron radiation charged defects in crystals 1 181 HF Embedded cluster Full geometry optimizations of core ionized species Embedded-cluster and super-cell treatment of and their equivalent core ions: an ab initio study charged defects in crystals 1 of energies, geometries, charges and vibrational Embedding frequencies 117 Ab initio calculations for the adsorption of small Hydrocarbon molecules on metal oxide surfaces. Part 3. Adsorption Ab initio CI investigation of valence photoelectron of H and CH; radicals on NiO(100) 99 spectra of conjugated hydrocarbons 207 Subject Index/J. Electron Spectrosc. Relat. Phenom. 69 (1994) 261-265 263 Hydrogen Methane A theoretical study of the adsorption dynamics of Reaction of CH, and CH3F with Si(111) 23 hydrogen on Ni(111) surface 55 MLEC INDO Density functional approach to moderately large Ab initio and semiempirical cluster studies on the cluster embedding for infinite metal substrates 31 reactivity of the vanadium pentoxide (010) surface MNDO 89 Photoemission from gaseous and condensed molecu- Instrument lar carborane cluster molecules 111 Design of a 90 degree spherical deflection analyzer Resonant dissociative attachment of electrons to 189 molecules of five-membered heterocyclic compounds Insulator and lactams 165 Surface analysis of wide gap insulators with XPS Model 245 Effective atomic charges and charge transfer after Iron oxide photoionization in sulfur compounds and phosphorus Formation of ultrathin films of iron oxide on compounds 149 Cu(110) 133 The lower excited states of a Cu* impurity in NaF: Isomer localized or not? 73 He II photoelectron spectra of bifurans and thienyl- MRCI furans 177 Valence bond reading of ab initio molecular orbital cluster model wavefunctions: the nature of chemical Lactam bond in corundum 65 Resonant dissociative attachment of electrons to molecules of five-membered heterocyclic compounds Nickel and lactams 165 A theoretical study of the adsorption dynamics of LCAO-DF hydrogen on Ni(111) surface 55 LCAO density functional calculations of core binding Nickel oxide energy shifts of large molecules 197 Ab initio calculations for the adsorption of small LCGTO-LSD molecules on metal oxide surfaces. Part 3. Adsorption Inner and valence shell photoelectron spectra calcu- of H and CH; radicals on NiO(100) 99 lated by the density functional method 81 Ni(100) LCGTO-NLSD Core hole screening mechanism of adsorbates 225 Inner and valence shell photoelectron spectra calcu- Ni(111) lated by the density functional method 81 A theoretical study of the adsorption dynamics of LEED hydrogen on Ni(111) surface 55 Formation of ultrathin films of iron oxide on NMR Cu(110) 133 He II photoelectron spectra of bifurans and thienyl- Lineshape analysis furans 177 Implementation of an efficient analytical approxima- Novel tion to the Voigt function for photoemission lineshape Design of a 90 degree spherical deflection analyzer analysis 125 189 Local density function Implementation of an efficient analytical approxima- CO adsorption on the (001) surface of MgO: a com- tion to the Voigt function for photoemission lineshape parison of Hartree—Fock and local density functional analysis 125 results 13 Localization Oxidation The lower excited states of a Cu* impurity in NaF: Ab initio and semiempirical cluster studies on the localized or not? 73 reactivity of the vanadium pentoxide (010) surface 89 Magnesium oxide Oxide CO adsorption on the (001) surface of MgO: a com- Ab initio and semiempirical cluster studies on the parison of Hartree—Fock and local density functional reactivity of the vanadium pentoxide (010) surface 89 results 13 Ab initio calculations for the adsorption of small Embedded-cluster and super-cell treatment of molecules on metal oxide surfaces. Part 3. Adsorption charged defects in crystals 1 of H and CH; radicals on NiO(100) 99 264 Subject Index/J. Electron Spectrosc. Relat. Phenom. 69 (1994) 261-265 Adsorption of small molecules on metal oxides 43 SDA-90 Surface analysis of wide gap insulators with Design of a 90 degree spherical deflection analyzer XPS 245 189 PAN Selenophene Polymer analysis by Auger electron spectroscopy Resonant dissociative attachment of electrons to using sectioning and cryogenic cooling 141 molecules of five-membered heterocyclic compounds PC and lactams 165 Implementation of an efficient analytical approxima- Shake up tion to the Voigt function for photoemission lineshape Core hole screening mechanism of adsorbates 225 analysis 125 Silicon PES Reaction of CH, and CH;F with Si(111) 23 Ab initio CI investigation of valence photoelectron Si(111) spectra of conjugated hydrocarbons 207 Reaction of CH, and CH3F with Si(111) 23 HE II photoelectron spectra of bifurans and thienyl- Sodium fluoride furans 177 The lower excited states of 6 Cu* impurity in NaF: LCAO density functional calculations of core binding localized or not? 73 energy shifts of large molecules 197 Sulphur compound Photoemission from gaseous and condensed molecu- Effective atomic charges and charge transfer after lar carborane cluster molecules 111 photoionization in sulfur compounds and phosphorus Resonant dissociative attachment of electrons to compounds 149 molecules of five-membered heterocyclic compounds Super cell and lactams 165 Embedded-cluster and super-cell treatment of Phosphorus compound charged defects in crystals 1 Effective atomic charges and charge transfer after Surface photoionization in sulfur compounds and phosphorus A theoretical study of the adsorption dynamics of compounds 149 hydrogen on Ni(111) surface 55 Polymer CO adsorption on the (001) surface of MgO: a com- Polymer analysis by Auger electron spectroscopy parison of Hartree—Fock and local density functional using sectioning and cryogenic cooling 141 results 13 Surface analysis of wide gap insulators with XPS Quasi-conical system 245 Quasi-conical energy analyzers for electron spec- Surface charge troscopy 159 Polymer analysis by Auger electron spectroscopy using sectioning and cryogenic cooling 141 RDEA Resonant dissociative attachment of electrons to molecules of five-membered heterocyclic compounds Thienylfuran and lactams 165 He II photoelectron spectra of bifurans and thienyl- Resolution furans 177 High resolution studies of the electronic decay of core Thin film holes in molecules: there is no threshold at the “XPS Formation of ultrathin films of iron oxide on Cu(110) threshold” 239 133 Threshold SCF High resolution studies of the electronic decay of core Adsorption of small molecules on metal oxides 43 holes in molecules: there is no threshold at the “XPS Density functional approach to moderately large threshold” 239 cluster embedding for infinite metal substrates 31 Transmission correction Full geometry optimizations of core ionized species A method to determine a transmission correction for and their equivalent core ions: an ab initio study electron spectrometers using synchrotron radiation of energies, geometries, charges and vibrational 181 frequencies 117 Two-body problem Valence bond reading of ab initio molecular orbital Valence bond reading of ab initio molecular orbital cluster model wavefunctions: the nature of chemical cluster model wavefunctions: the nature of chemical bond in corundum 65 bond in corundum 65 Subject Index/J. Electron Spectrosc. Relat. Phenom. 69 (1994) 261—265 265 Ultrathin film Wide gap insulator Formation of ultrathin films of iron oxide on Surface analysis of wide gap insulators with XPS Cu(110) 133 245 UPS He II photoelectron spectra of bifurans and thienyl- XAS furans 177 Core hole screening mechanism of adsorbates 225 Inner and valence shell photoelectron spectra calcu- XPS lated by the density functional method 81 Core hole screening mechanism of adsorbates 225 Formation of ultrathin films of iron oxide on Vanadium oxide Cu(110) 133 Ab initio and semiempirical cluster studies on the High resolution studies of the electronic decay of core reactivity of the vanadium pentoxide (010) surface holes in molecules: there is no threshold at the “XPS 89 threshold” 239 Voigt Inner and valence shell photoelectron spectra calcu- Implementation of an efficient analytical approxima- lated by the density functional method 81 tion to the Voigt function for photoemission lineshape Surface analysis of wide gap insulators with XPS analysis 125 245