Bigelow, R. W.; Freund, H.-J.: An MNDO and CNDO / S(S + DES CI) study on the structural and electronic properties of a model squaraine dye and related cyanine. Chemical Physics 107 (2-3), S. 159 - 174 (1986)

Fink, J.; Scheerer, B.; Wernet, W.; Monkenbusch, M.; Wegner, G.; Freund, H.-J.; Gonska, H.: Electronic structure of pyrrole-based conducting polymers: An electron-energy-loss-spectroscopy study. Physical Review B 34 (2), S. 1101 - 1115 (1986)

Freund, H.-J.; Kossmann, H.; Schmidt, V.: Photoionization of inner valence electrons of CO₂ in the gas phase: a synchrotron radiation study using photon energies between 40 AND 100 eV. Chemical Physics Letters 123 (6), S. 463 - 470 (1986)

Freund, H.-J.; Messmer, R.P.: On the bonding and reactivity of CO₂ on metal surfaces. Surface Science 172 (1), S. 1 - 30 (1986)

Freund, H.-J.; Messmer, R. P.; Spiess, W.; Behner, H.; Wedler, G.; Kao, C. M.: Interpretation of electronic excitations in coordinated CO systems as observed by electron-energy-loss spectroscopy. Physical Review B 33 (8), S. 5228 - 5240 (1986)

Freund, H.-J.; Rogozik, J.; Dose, V.; Neumann, M.: Bremsstrahlung isochromat spectroscopic study of the system CO/Ni(110): Strong intermolecular interaction. Surface Science 175 (3), S. 651 - 658 (1986)

Goschnick, A.; Wolf, M.; Unertl, W. N.; Grunze, M.; Block, J. H.; Loboda-Cackovic, J.: Adsorption of O₂ on Pd(110). Surface Science 178 (1-3), S. 831 - 841 (1986)

Kuhlenbeck, H.; Neumann, M.; Freund, H.-J.: Electronic and geometric structure of CO on Ni(110): Experiment and theory. Surface Science 173 (1), S. 194 - 214 (1986)

Meijer, G.; Meulen, J. J. t.; Andresen, P.; Bath, A.: Sensitive quantum state selective detection of H₂O and D₂O by (2+1)‐resonance enhanced multiphoton ionization. The Journal of Chemical Physics 85 (12), S. 6914 - 9322 (1986)

Messmer, R.P.; Schultz, P.A.; Tatar, R.C.; Freund, H.-J.: Theoretical evidence for "bent bonds" in the CO₂ molecule. Chemical Physics Letters 126 (2), S. 176 - 180 (1986)

Pulm, H.; Hohlneicher, G.; Freund, H.-J.; Schuster, H.-U.; Drews, J.; Eberv, U.: Charge distribution in some ternary vintl phases as studied by v-ray photoelectron spectroscopy. Journal of the Less Common Metals 115 (1), S. 127 - 243 (1986)

Schmeißer, D.; Lyo, I. W.; Greuter, F.; Plummer, E. W.; Freund, H.-J.; Seel, M.: Photoemission from Ordered Physisorbed Molecular Phases N₂/Graphite, N₂ and CO/Ag(lll). Berichte der Bunsen-Gesellschaft 90 (3), S. 228 - 231 (1986)

Slaughter, A. R.; Banna, M. S.; Bigelow, R. W.; Pulm, H.; Freund, H.-J.: Vapor Phase X-Ray Core-Photoelectron Spectra of N,N-Dimethyl-p-nitrosoaniline. An Experimental and Theoretical Study. Journal of the American Chemical Society 108 (8), S. 1891 - 1805 (1986)

Ubachs, W.; Meijer, G.; Meulen, J. J. t.; Dymanus, A.: Hyperfine structure and lifetime of the C ²Σ⁺, v=0 state of CH. The Journal of Chemical Physics 84 (6), S. 3032 - 3041 (1986)

Ubachs, W.; Meijer, G.; Meulen, J.J. t.; Dymanus, A.: High-resolution spectroscopy on the c¹Π ← a¹Δ transition in NH. Journal of Molecular Spectroscopy 115 (1), S. 88 - 104 (1986)

Bachelet, G. B.; Scheffler, M.: No large lattice relaxations around the arsenic antisite in GaAs. Proc. 17th Int. Conf. on the Physics of Semiconductors, S. 755 - 760 (1985)

Beeler, F.; Andersen, O. K.; Scheffler, M.: Electronic structure calculation of 3d-transition metal point defects in silicon. Microscopic Identification of Electronic Defects in Semiconductors, S. 129 (1985)

Beeler, F.; Andersen, O. K.; Scheffler, M.: Theoretical evidence for low-spin ground states of early interstitial and late substitutional 3d transition-metal ions in silicon. Physical Review Letters 55, S. 1498 - 1501 (1985)

Beeler, F.; Scheffler, M.; Jepsen, O.; Gunnarsson, O.: Identifiaction of chalcogen defects in silicon. Microscopic Identification of Electronic Defects in Semiconductors 46, S. 117 (1985)

Beeler, F.; Scheffler, M.; Jepsen, O.; Gunnarsson, O.: Identification of chalcogen point-defects sites in silicon by total-energy calculations. Physical Review Letters 54, S. 2525 - 2528 (1985)