Publications of Thorsten Klüner

Journal Article (31)

Journal Article
D.E. Starr, F.M.T. Mendes, J. Middeke, R.-P. Blum, H. Niehus, D. Lahav, S. Guimond, A. Uhl, T. Klüner, M. Schmal, H. Kuhlenbeck, S. Shaikhutdinov and H.-J. Freund: Preparation and characterization of well-ordered, thin niobia films on a metal substrate. Surface Science 599 (1-3), 14–26 (2005).
Journal Article
A. Cörper, G. Bozdech, N. Ernst, T. Klüner and H.-J. Freund: Field electron energy spectroscopy of alumina-supported platinum adatoms. Physica Status Solidi B 242 (12), 2462–2467 (2005).
Journal Article
R.J. Meyer, D. Lahav, T. Schalow, M. Laurin, B. Brandt, S. Schauermann, S. Guimond, T. Klüner, H. Kuhlenbeck, J. Libuda, S. Shaikhutdinov and H.-J. Freund: CO adsorption and thermal stability of Pd deposited on a thin FeO(1 1 1) film. Surface Science 586 (1-3), 174–182 (2005).
Journal Article
T. Klüner: Laser-induced desorption of small molecules from oxide surfaces: A first-principles study. Israel Journal of Chemistry 45 (1-2), 77–95 (2005).
Journal Article
S. Borowski and T. Klüner: Massively parallel Hamiltonian action in pseudospectral algorithms applied to quantum dynamics of laser induced desorption. Chemical Physics 304 (1-2), 51–58 (2004).
Journal Article
G. Pacchioni, C. Di Valentin, D. Dominguez-Ariza, F. Illas, T. Bredow, T. Klüner and V. Staemmler: Bonding of NH3, CO, and NO to NiO and Ni-doped MgO: a problem for density functional theory. Journal of Physics: Condensed Matter 16 (26), S2497–S2507 (2004).
Journal Article
C. Bach, T. Klüner and A. Gross: Multi-dimensional mixed quantum–classical description of the laser-induced desorption of molecules. Applied Physics A 78 (2), 231–238 (2004).
Journal Article
S. Borowski, T. Klüner, H.-J. Freund, I. Klinkmann, K. Al-Shamery, M. Pykavy and V. Staemmler: Lateral velocity distributions in laser-induced desorption of CO from Cr2O3(0001): experiment and theory. Applied Physics A 78 (2), 223–230 (2004).
Journal Article
C. Bach, T. Klüner and A. Gross: Simulation of laser-induced desorption of NO from NiO(100). Chemical Physics Letters 376 (3-4), 424–431 (2003).
Journal Article
S. Borowski, T. Klüner and H.-J. Freund: Complete analysis of the angular momentum distribution of molecules desorbing from a surface. Journal of Chemical Physics 119 (19), 10367–10375 (2003).
Journal Article
C.P. Koch, T. Klüner, H.-J. Freund and R. Kosloff: Surrogate Hamiltonian study of electronic relaxation in the femtosecond laser induced desorption of NO/NiO(100). Journal of Chemical Physics 119 (3), 1750–1765 (2003).
Journal Article
C.P. Koch, T. Klüner, H.-J. Freund and R. Kosloff: Femtosecond photodesorption of small molecules from surfaces: a theoretical investigation from first principles. Physical Review Letters 90 (11), 117601–1-117601–4 (2003).
Journal Article
T. Risse, A. Carlsson, M. Bäumer, T. Klüner and H.-J. Freund: Using IR intensities as a probe for studying the surface chemical bond. Surface science 546, L829–L835 (2003).
Journal Article
S.K. Shaikhutdinov, R.J. Meyer, D. Lahav, M. Bäumer, T. Klüner and H.-J. Freund: Determination of the atomic structure of the metal-oxide interface: Pd nanodeposits on an FeO(111) film. Physical Review Letters 91 (7), 076102 (2003).
Journal Article
M. Pykavy, S. Thiel and T. Klüner: Laser induced desorption of CO from Cr2O3(0001): Ab initio calculation of the four-dimensional potential energy surface for an intermediate excited state. Journal of Physical Chemistry B 106 (48), 12556–12562 (2002).
Journal Article
S. Thiel, T. Klüner, D. Lemoine and H.-J. Freund: Rovibrational preexcitation in the photodesorption of CO from Cr2O3. Chemical Physics 282 (3), 361–370 (2002).
Journal Article
A. Delin and T. Klüner: Excitation spectra and ground-state properties from density-functional theory for the inverted band-structure systems ß-HgS, HgSe, and HgTe. Physical Review B 66 (3), 035117–1-035117–8 (2002).
Journal Article
T. Klüner, N. Govind, Y.A. Wang and E.A. Carter: Reply to the comment on "Prediction of Electronic Excited States of Adsorbates on Metal Surfaces from First Principles", Phys. Rev. Lett., Vol. 86, 5954 (2001). Physical Review Letters 88 (20), 209702–1-209702–1 (2002).
Journal Article
S. Borowski, S. Thiel, T. Klüner, H.-J. Freund, R. Tisma and H. Lederer: High-dimensional quantum dynamics of molecules on surfaces: a massively parallel implementation. Computer Physics Communications 143 (2), 162–173 (2002).
Journal Article
S. Thiel, M. Pykavy, T. Klüner, H.-J. Freund, R. Kosloff and V. Staemmler: Rotational alignmen in the photodesorption of CO from Cr2O3(0001): A systematic three-dimensional ab initio study. The Journal of Chemical Physics 116 (2), 762–773 (2002).
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