Journal Article (8366)
1985
Journal Article
, M. Scheffler and 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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, , , , and H.-J. Freund: A comparison of surface electron spectroscopies. Surface Science 158 (1-3), 58–83 (1985).
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, and 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).
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, , , , , , and : 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).
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Scheffler, M., , , , and : Chemical bonding and lattice relaxations of deep-level defects. J. of Electronic Materials 14a, 45–58 (1985).
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Scheffler, M., and : Total-energy gradients and lattice distortions at point defects in semiconductors. Physical Review B 31, 6541–6551 (1985).
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, , and 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).
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and 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
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Freund, H.-J., , , , , , and : 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).
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Grunze, M., , , H.-J. Freund, , , , and : π-Bonded N2 on Fe(111): The Precursor for Dissociation. Physical Review Letters 53 (8), 850–853 (1984).
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, , and 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).
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and M. Scheffler: Angle-resolved photoemission and the electronic structure of Pd(111). Physical Review B 29, 692–702 (1984).
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, and M. Scheffler: Optical properties of As antisite and EL2 defects in GaAs. Physical Review Letters 52, 851–854 (1984).
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Scheffler, M., , and : Electronic structure and identification of deep defects in GaP. Physical Review B 29, 3269–3282 (1984).
1983
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, H.-J. Freund and : The T1 State of p-Nitroaniline and Related Molecules: A CNDO/S Study. Theoretica Chimica Acta 63 (3), 177–194 (1983).
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, , , , H.-J. Freund and : π-electron delocalization in poly(p-phenylene), poly(p-phenylenesulfide), and poly(p-phenyleneoxide). Physical Review B 28 (4), 1802–1808 (1983).
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and 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).
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and 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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, , , , and : 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).
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Freund, H.-J., , and : 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., , and : Chemisorption of CO on Co(0001). II. Multielectron excitations. Physical Review B 28 (4), 1727–1733 (1983).
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Freund, H.-J., , and : X-ray photoemission study of satellite structure accompanying core ionization from coordinated nitrogen. Chemical Physics 81 (1-2), 99–112 (1983).
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, , and H.-J. Freund: Chemisorption of CO on Co(0001). Structure and electronic properties. Physical Review B 27 (12), 7117–7135 (1983).
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, , M. Scheffler and : Multivacancies, interstitials, and self-interstitial migration in Si. Physica B 116, 18–27 (1983).
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, M. Scheffler and : Electronic structure of self-interstitials and sp-bonded interstitial impurities in semiconductors. Physica B/C 117/118, 137–139 (1983).
1982
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Berndt, W., and : A LEED analysis of c(2x2) sulphur on Pd(100). Surface Science 117 (1-3), 188–195 (1982).
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, , and M. Scheffler: Electronic structure of deep sp-bonded impurities in silicon. Physical Review B 26 (10), 5706–5715 (1982).
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and 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).
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, , H.-J. Freund and : Summary Abstract: Angle‐resolved photoemission study of CO/Co(0001). Journal of Vacuum Science and Technology 20 (3), 623–624 (1982).
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, , , and : 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., and : 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).
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and M. Scheffler: Determination of deep donor binding energies from their g-values. Journal of Physics C: Solid State Physics 15, L645–L650 (1982).
1981
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Freund, H.-J. and : 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).
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Freund, H.-J. and : Explanation of the satellite structure observed in the photoemission spectra of coordinated CO. Physical Review B 23 (10), 4859–4878 (1981).
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Freund, H.-J., and : 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).
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Freund, H.-J., , and : An XPS study of intensity borrowing in core ionization of free and coordinated CO. The Journal of Chemical Physics 75 (9), 4275–4284 (1981).
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, and : Zur elektronischen struktur von trans-chloro-methylcarbin-tetracarbonyl-chrom ClCr(CO)4CCH3. Journal of Organometallic Chemistry 216 (2), 235–243 (1981).
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, H.-J. Freund and : 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).
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, H.-J. Freund and : 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).
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, , and : X-ray photoelectron spectroscopy of gaseous and solid I2: Ion-state-enhanced intermolecular interactions. Physical Review B 24 (5), 2403–2411 (1981).
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Scheffler, M., , and : Identification and properties of native defects in GaP. Physical Review Letters 47, 413 (1981).
1980
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Freund, H.-J., and : Calculation of Transition Metal Compounds Using an Extension of the CNDO-Formalism, II. Metal to Metal Bonding in Binuclear Transition Metal Compounds. Theoretica Chimica Acta 57 (3), 181–207 (1980).
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and M. Scheffler: Photoemission and the electronic structure of a c(2x2) sulfur adsorbate-layer on Pd. Proceedings of the 4th International Conference on Solid Surfaces and the 3rd European Conf. on Surf. Sci., in press.
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, H.-J. Freund and : Calculation of transition metal compounds using an extension of the CNDO formalism: VI. Simple interpretation of many-body effects in the valence shell photoionization of adsorbates by the study of CO/Ni and N2/Ni model systems. Surface Science 95 (2-3), 527–554 (1980).
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, H.-J. Freund and : Calculation of Transition Metal Compounds Using an Extension of the CNDO Formalism, III. Application to the CO-insertion Reaction as an Example for Mechanistic Studies. Journal of Organometallic Chemistry 186 (1), 63–75 (1980).
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, , , and H.-J. Freund: Temperature-Dependent Ultraviolet Photoemission Linewidths of Molecular Solids: Isopropyl Benzene. Physical Review Letters 45 (4), 280–283 (1980).
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, , R. Schlögl and : Direct imaging of a graphite intercalate: Evidence of interpenetration of ‘stages’ in graphite: Ferric chloride. Materials Research Bulletin 15 (5), 671–676 (1980).
1979
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Bradshaw, A.M. and M. Scheffler: Lateral interactions in adsorbed layers. J. Vac. Sci. Tech. 16, 447–454 (1979).
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Freund, H.-J. and : Comparative Study of Adsorbate Systems and Corresponding Compounds Using X-Ray and UV-Photoemission I. Hexagonal (0001) Co/CO, O2 versus Oxides and Carbonyls. Berichte der Bunsen-Gesellschaft 83 (2), 100–108 (1979).