Suchergebnisse

Scheffler, M.; Vigneron, J. P.; Bachelet, G. B.: Total-energy gradients and lattice distortions at point defects in semiconductors. Physical Review B 31, S. 6541 - 6551 (1985)

Hohlneicher, G.; Distler, D.; Müller, M.; Freund, H.-J.: 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), S. 151 - 156 (1984)

Freund, H.-J.; Slaughter, A. R.; Ballina, S. M.; Banna, M. S.; Bigelow, R. W.; Dick, B.; Lex, J.; Deger, H. M.: 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), S. 2535 - 2555 (1984)

Grunze, M.; Golze, M.; Hirschwald, W.; Freund, H.-J.; Pulm, H.; Seip, U.; Tsai, M. C.; Ertl, G.; Küppers, J.: π-Bonded N₂ on Fe(111): The Precursor for Dissociation. Physical Review Letters 53 (8), S. 850 - 853 (1984)

Hora, R.; Scheffler, M.: Angle-resolved photoemission and the electronic structure of Pd(111). Physical Review B 29, S. 692 - 702 (1984)

Meyer, B. K.; Spaeth, J.-M.; Scheffler, M.: Optical properties of As antisite and EL2 defects in GaAs. Physical Review Letters 52, S. 851 - 854 (1984)

Scheffler, M.; Bernholc, J.; Lipari, N. O.; Pantelides, S. T.: Electronic structure and identification of deep defects in GaP. Physical Review B 29, S. 3269 - 3282 (1984)

Dick, B.; Freund, H.-J.: Analysis of Bonding Properties in Molecular Ground and Excited States by a Cohen-Type Bond Order. International Journal of Quantum Chemistry 24 (6), S. 747 - 765 (1983)

Freund, H.-J.; Pulm, H.; Dick, B.; Lange, R.: X-ray photoemission study of satellite structure accompanying core ionization from coordinated nitrogen. Chemical Physics 81 (1-2), S. 99 - 112 (1983)

Crecelius, G.; Fink, J.; Ritsko, J. J.; Stamm, M.; Freund, H.-J.; Gonska, H.: π-electron delocalization in poly(p-phenylene), poly(p-phenylenesulfide), and poly(p-phenyleneoxide). Physical Review B 28 (4), S. 1802 - 1808 (1983)

Freund, H.-J.; Greuter, F.; Heskett, D.; Plummer, E. W.: Chemisorption of CO on Co(0001). II. Multielectron excitations. Physical Review B 28 (4), S. 1727 - 1733 (1983)

Greuter, F.; Heskett, D.; Plummer, E. W.; Freund, H.-J.: Chemisorption of CO on Co(0001). Structure and electronic properties. Physical Review B 27 (12), S. 7117 - 7135 (1983)

Fink, J.; Crecelius, G.; Ritsko, J.J.; Stamm, M.; Freund, H.-J.; Gonska, H.: 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), S. C3-741 - C3-744 (1983)

Bigelow, R. W.; Freund, H.-J.; Dick, B.: The T₁ State of p-Nitroaniline and Related Molecules: A CNDO/S Study. Theoretica Chimica Acta 63 (3), S. 177 - 194 (1983)

Freund, H.-J.; Eberhardt, W.; Heskett, D.; Plummer, E. W.: Influence of Multielectron Excitations on the Band Structure of Adsorbate Overlayers. Physical Review Letters 50 (10), S. 768 - 771 (1983)

Eberhardt, W.; Freund, H.-J.: Excitation energy dependence in the photoemission satellite structures in solid CO and N₂. The Journal of Chemical Physics 78 (2), S. 700 - 707 (1983)

Pantelides, S. T.; Ivanov, I.; Scheffler, M.; Vigneron, J. P.: Multivacancies, interstitials, and self-interstitial migration in Si. Physica B 116, S. 18 - 27 (1983)

Vigneron, J. P.; Scheffler, M.; Pantelides, S. T.: Electronic structure of self-interstitials and sp-bonded interstitial impurities in semiconductors. Physica B/C 117/118, S. 137 - 139 (1983)

Bigelow, R. W.; Freund, H.-J.: 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), S. 5552 - 5561 (1982)

Horn, K.; Dinardo, J.; Eberhardt, W.; Freund, H.-J.; Plummer, E.W.: The adsorption of N₂: Chemisorbed on Ni(110) and physisorbed on Pd(111). Surface Science 118 (3), S. 465 - 495 (1982)