Máca, F.; Scheffler, M.; Berndt, W.: 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), pp. 467 - 474 (1985)

Meyer, B. K.; Spaeth, J.-M.; Scheffler, M.: As_Ga-induced dichroism in GaAs. Physical Review Letters 54, p. 1333 - 1333 (1985)

Plummer, E.W.; Chen, C.T.; Ford, W.K.; Eberhardt, W.; Messmer, R.P.; Freund, H.-J.: A comparison of surface electron spectroscopies. Surface Science 158 (1-3), pp. 58 - 83 (1985)

Pulm, H.; Liegener, C.-M.; Freund, H.-J.: 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), pp. 344 - 350 (1985)

Pulm, H.; Marquardt, B.; Freund, H.-J.; Engelhardt, R.; Seki, K.; Karlsson, U.; Koch, E.E.; von Niessen, W.: Photoionization study of the CN anion: A study of the NaCN(001) surface in comparison with CO and N₂. Chemical Physics 92 (2-3), pp. 457 - 470 (1985)

Scheffler, M.; Beeler, F.; Jepsen, O.; Gunnarsson, O.; Andersen, O. K.; Bachelet, G. B.: Chemical bonding and lattice relaxations of deep-level defects. J. of Electronic Materials 14a, pp. 45 - 58 (1985)

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

Schmeisser, D.; Greuter, F.; Plummer H. -J., E. W.; Freund, H.-J.: Photoemission from Ordered Physisorbed Adsorbate Phases: N₂ on Graphite and CO on Ag(111). Physical Review Letters 54 (19), pp. 2095 - 2098 (1985)

Seel, M.; Freund, H.-J.: Ab initio bandstructure of a layer of nitrogen molecules oriented in a herringbone structure. Solid State Communications 55 (10), pp. 895 - 898 (1985)

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), pp. 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), pp. 850 - 853 (1984)

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), pp. 151 - 156 (1984)

Hora, R.; Scheffler, M.: Angle-resolved photoemission and the electronic structure of Pd(111). Physical Review B 29, pp. 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, pp. 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, pp. 3269 - 3282 (1984)

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), pp. 177 - 194 (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), pp. 1802 - 1808 (1983)

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), pp. 747 - 765 (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), pp. 700 - 707 (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), pp. C3-741 - C3-744 (1983)