Publications of Hans-Joachim Freund

Seel, M. 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).

Freund, H.-J., A.R. Slaughter, S.M. Ballina, M.S. Banna, R.W. Bigelow, B. Dick, J. Lex and H.M. Deger: 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).

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

Hohlneicher, G., D. Distler, M. Müller 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).

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

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

Dick, B. 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).

Eberhardt, W. 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).

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

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

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

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

Bigelow, R.W. 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).

Bigelow, R.W., R.J. Weagley and 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).

Heskett, D., F. Greuter, H.-J. Freund and E.W. Plummer: Summary Abstract: Angle‐resolved photoemission study of CO/Co(0001). Journal of Vacuum Science and Technology 20 (3), 623–624 (1982).

Bigelow, R.W. and H.-J. Freund: Solid state effects on core-hole spectra. Chemical Physics Letters 77 (2), 261–266 (1981).

Bigelow, R.W., R.J. Weagley and H.-J. Freund: Intense core-hole satellite structure in aromatic donor/acceptor molecules. Chemical Physics Letters 82 (2), 305–310 (1981).

Freund, H.-J. and R.W. Bigelow: 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).

Freund, H.-J. and E.W. Plummer: Explanation of the satellite structure observed in the photoemission spectra of coordinated CO. Physical Review B 23 (10), 4859–4878 (1981).

Freund, H.-J., E.W. Plummer and W.R. Salaneck: 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).