Zeitschriftenartikel (8644)
1985
Zeitschriftenartikel
, M. Scheffler, und : Identifiaction of chalcogen defects in silicon. Microscopic Identification of Electronic Defects in Semiconductors 46, 117 (1985).
Zeitschriftenartikel
, M. Scheffler, und : Identification of chalcogen point-defects sites in silicon by total-energy calculations. Physical Review Letters 54, 2525–2528 (1985).
Zeitschriftenartikel
, , , , , und H.-J. Freund: X-Ray Photoelectron Spectroscopy Study of Silica-Alumina Catalysts Used for a New Pyridine Synthesis. Journal of Catalysis 94 (1), 69–78 (1985).
Zeitschriftenartikel
Freund, H.-J., , und : Configuration interaction study of shake-up structure accompanying core-ionization of substituted aromatic molecules in the vapor and condensed phases: Nitrosobenzene, diazobenzene dioxide and the no dimer. Chemical Physics 94 (1-2), 215–233 (1985).
Zeitschriftenartikel
Freund, H.-J., , und : Interpretation of the N 1 s photoelectron spectra of chemisorbed N2 in terms of local molecule-metal interactions. Physical Review B 31 (8), 4848–4853 (1985).
Zeitschriftenartikel
, und H.-J. Freund: On the separation of initial and final state effects in photoelectron spectroscopy using an extension of the auger-parameter concept. Journal of Electron Spectroscopy and Related Phenomena 37 (2), 209–224 (1985).
Zeitschriftenartikel
und M. Scheffler: Calculation of the Green's function for a crystal surface or interface. Comput. Phys. Commun. 38, 403–413 (1985).
Zeitschriftenartikel
, M. Scheffler und W. Berndt: The adsorption of sulphur on Pd(111). I: A LEED analysis of the (sqrt{2} x sqrt{3}) R 30° adsorbate structure. Surface scienc 160 (2), 467–474 (1985).
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Zeitschriftenartikel
, , , , und H.-J. Freund: A comparison of surface electron spectroscopies. Surface Science 158 (1-3), 58–83 (1985).
Zeitschriftenartikel
, und H.-J. Freund: Auger electron spectroscopic study of the CN anion: A study of the NaCN(001) surface in comparison with CO and N2. Chemical Physics Letters 119 (4), 344–350 (1985).
Zeitschriftenartikel
, , , , , , und : Photoionization study of the CN anion: A study of the NaCN(001) surface in comparison with CO and N2. Chemical Physics 92 (2-3), 457–470 (1985).
Zeitschriftenartikel
Scheffler, M., , , , und : Chemical bonding and lattice relaxations of deep-level defects. J. of Electronic Materials 14a, 45–58 (1985).
Zeitschriftenartikel
Scheffler, M., und : Total-energy gradients and lattice distortions at point defects in semiconductors. Physical Review B 31, 6541–6551 (1985).
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, , und H.-J. Freund: Photoemission from Ordered Physisorbed Adsorbate Phases: N2 on Graphite and CO on Ag(111). Physical Review Letters 54 (19), 2095–2098 (1985).
Zeitschriftenartikel
und H.-J. Freund: Ab initio bandstructure of a layer of nitrogen molecules oriented in a herringbone structure. Solid State Communications 55 (10), 895–898 (1985).
1984
Zeitschriftenartikel
Freund, H.-J., , , , , , und : Comparison of core-hole excitation spectra of organic donor/acceptor molecules in the vapor and condensed phases: p-Nitroaniline, 2-amino-6-nitronaphthalene and 1-amino-4-nitronaphthalene. The Journal of Chemical Physics 81 (6), 2535–2555 (1984).
Zeitschriftenartikel
Grunze, M., , , H.-J. Freund, , , , und : π-Bonded N2 on Fe(111): The Precursor for Dissociation. Physical Review Letters 53 (8), 850–853 (1984).
Zeitschriftenartikel
, , und H.-J. Freund: Identification of shake-up satellites in valence photoelectron spectra of organic compounds by comparison with electronic absorption spectra of radical cations. Case study: Octafluoronaphthalene. Chemical Physics Letters (1-2), 151–156 (1984).
Zeitschriftenartikel
und M. Scheffler: Angle-resolved photoemission and the electronic structure of Pd(111). Physical Review B 29, 692–702 (1984).
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, und M. Scheffler: Optical properties of As antisite and EL2 defects in GaAs. Physical Review Letters 52, 851–854 (1984).
Zeitschriftenartikel
Scheffler, M., , und : Electronic structure and identification of deep defects in GaP. Physical Review B 29, 3269–3282 (1984).
1983
Zeitschriftenartikel
, H.-J. Freund und : The T1 State of p-Nitroaniline and Related Molecules: A CNDO/S Study. Theoretica Chimica Acta 63 (3), 177–194 (1983).
Zeitschriftenartikel
, , , , H.-J. Freund und : π-electron delocalization in poly(p-phenylene), poly(p-phenylenesulfide), and poly(p-phenyleneoxide). Physical Review B 28 (4), 1802–1808 (1983).
Zeitschriftenartikel
und H.-J. Freund: Analysis of Bonding Properties in Molecular Ground and Excited States by a Cohen-Type Bond Order. International Journal of Quantum Chemistry 24 (6), 747–765 (1983).
Zeitschriftenartikel
und H.-J. Freund: Excitation energy dependence in the photoemission satellite structures in solid CO and N2. The Journal of Chemical Physics 78 (2), 700–707 (1983).
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, , , , und : π ELECTRON DELOCALIZATION IN POLY-(p-PHENYLENE) (PPP), POLYPHENYLENE SULFIDE (PPS) AND POLYPHENYLENE OXIDE ( PPO) AND AsF5 DOPING OF PPP. Journal de Physique. Colloque 44 (C3), C3–741-C3–744 (1983).
Zeitschriftenartikel
Freund, H.-J., , und : Influence of Multielectron Excitations on the Band Structure of Adsorbate Overlayers. Physical Review Letters 50 (10), 768–771 (1983).
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Freund, H.-J., , und : Chemisorption of CO on Co(0001). II. Multielectron excitations. Physical Review B 28 (4), 1727–1733 (1983).
Zeitschriftenartikel
Freund, H.-J., , und : X-ray photoemission study of satellite structure accompanying core ionization from coordinated nitrogen. Chemical Physics 81 (1-2), 99–112 (1983).
Zeitschriftenartikel
, , und H.-J. Freund: Chemisorption of CO on Co(0001). Structure and electronic properties. Physical Review B 27 (12), 7117–7135 (1983).
Zeitschriftenartikel
, , M. Scheffler und : Multivacancies, interstitials, and self-interstitial migration in Si. Physica B 116, 18–27 (1983).
Zeitschriftenartikel
, M. Scheffler und : Electronic structure of self-interstitials and sp-bonded interstitial impurities in semiconductors. Physica B/C 117/118, 137–139 (1983).
1982
Zeitschriftenartikel
Berndt, W., und : A LEED analysis of c(2x2) sulphur on Pd(100). Surface Science 117 (1-3), 188–195 (1982).
Zeitschriftenartikel
, , und M. Scheffler: Electronic structure of deep sp-bonded impurities in silicon. Physical Review B 26 (10), 5706–5715 (1982).
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und H.-J. Freund: The core-hole excitation spectrum of benzene: A symmetry-adapted CNDO/S equivalent-core study including "spin-symmetry breaking" configuration. The Journal of Chemical Physics 77 (11), 5552–5561 (1982).
Zeitschriftenartikel
, und H.-J. Freund: Core-hole spectra of D+-Ar-A- molecules in the solid state (D = dialkylamino; A = pyridinium, pyrylium, thiapyrylium). Journal of Electron Spectroscopy and Related Phenomena 29 (2), 149–170 (1982).
Zeitschriftenartikel
, , H.-J. Freund und : Summary Abstract: Angle‐resolved photoemission study of CO/Co(0001). Journal of Vacuum Science and Technology 20 (3), 623–624 (1982).
Zeitschriftenartikel
, , , und : The adsorption of N2: Chemisorbed on Ni(110) and physisorbed on Pd(111). Surface Science 118 (3), 465–495 (1982).
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Scheffler, M., und : Tractable approach for calculating lattice distortions around simple defects in semiconductors: Application to the single donor Ge in GaP. Physical Review Letters 49, 1765–1768 (1982).
Zeitschriftenartikel
und M. Scheffler: Determination of deep donor binding energies from their g-values. Journal of Physics C: Solid State Physics 15, L645–L650 (1982).
1981
Zeitschriftenartikel
und H.-J. Freund: Solid state effects on core-hole spectra. Chemical Physics Letters 77 (2), 261–266 (1981).
Zeitschriftenartikel
, und H.-J. Freund: Intense core-hole satellite structure in aromatic donor/acceptor molecules. Chemical Physics Letters 82 (2), 305–310 (1981).
Zeitschriftenartikel
Freund, H.-J. und : Shake-up phenomena in D+-Ar-A- structures: A CNDO/S equivalent-core study on N,N-dimethyl-p-nitroaniline in the vapor and condensed phases. Chemical Physics 55 (3), 407–427 (1981).
Zeitschriftenartikel
Freund, H.-J. und : Explanation of the satellite structure observed in the photoemission spectra of coordinated CO. Physical Review B 23 (10), 4859–4878 (1981).
Zeitschriftenartikel
Freund, H.-J., und : Summary Abstract: An XPS study of "intensity borrowing" in core ionizations of CO upon coordination to transition metal atoms. Journal of Vacuum Science and Technology 18 (2), 464–465 (1981).
Zeitschriftenartikel
Freund, H.-J., , und : An XPS study of intensity borrowing in core ionization of free and coordinated CO. The Journal of Chemical Physics 75 (9), 4275–4284 (1981).
Zeitschriftenartikel
, und : Zur elektronischen struktur von trans-chloro-methylcarbin-tetracarbonyl-chrom ClCr(CO)4CCH3. Journal of Organometallic Chemistry 216 (2), 235–243 (1981).
Zeitschriftenartikel
, H.-J. Freund und : Calculation of transition metal compounds using an extension of the CNDO formalism. V. many body effects in the inner valence shell photoionization spectra of free and coordinated carbon monoxide. Chemical Physics 55 (3), 339–354 (1981).
Zeitschriftenartikel
, H.-J. Freund und : Calculation of Transition Metal Compounds Using an Extension of the CNDO Formalism: VII. Simple Interpretation of Many-body effects in the Core Photoionization of Adsorbates by the Study of CO/Ni and N2/Ni Model Systems. Surface Science Volume 102 (2–3), 359–378 (1981).