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ResearchZernike (ZIAM)

Refereed academic publications of 2007

Theoretical Chemistry
  1. Berger, J.A., de Boeij, P.L. & van Leeuwen, R. Analysis of the Vignale-Kohn current functional in the calculation of the optical spectra of semiconductors. Physical Review B 75 (3) 035116 (2007)

  2. Dahlen, N.E. & van Leeuwen, R. Solving the Kadanoff-Baym equations for inhomogeneous systems: Application to atoms and molecules. Physical Review Letters 98 (15) 153004 (2007)

  3. Fausti, D., Lummen, T.T.A., Angelescu, C., Macovez, R., Luzon, J., Broer, R., Rudolf, P., van Loosdrecht, P.H.M., Tristan, N., Büchner, B., van Smaalen, S., Möller, A., Meyer, G. & Taetz, T. Symmetry disquisition on the TiOX phase diagram (X=Br,Cl). Physical Review B 75 (24) art. 245114 (2007)

  4. Filatov, M. On the calculation of Mossbauer isomer shift. Journal of Chemical Physics 127 (8) art. 084101 (2007)

  5. Kollmar, C. & Filatov, M. Optimized effective potential method: Is it possible to obtain an accurate representation of the response function for finite orbital basis sets? Journal of Chemical Physics 127 (11) art. 114104 (2007)

  6. Macovez, R., Luzon, J., Schiessling, J., Sadoc, A., Kjeldgaard, L., van Smaalen, S., Fausti, D., van Loosdrecht, P.H.M., Broer, R. & Rudolf, P. Hybridization, superexchange, and competing magnetoelastic interactions in TiOBr. Physical Review B 76 (20) art. 205111 (2007)

  7. Moreira, I.D.R., Costa, R., Filatov, M. & Illas, F. Restricted ensemble-referenced Kohn-Sham versus broken symmetry approaches in density functional theory: Magnetic coupling in Cu binuclear complexes. Journal of Chemical Theory and Computation 3 (3) 764-774 (2007)

  8. Mundt, M., Kummel, S., van Leeuwen, R. & Reinhard, P.G. Violation of the zero-force theorem in the time-dependent Krieger-Li-Iafrate approximation. Physical Review A 75 (5) 050501 (2007)

  9. Sadoc, A., de Graaf, C. & Broer, R. Quantum chemical study of the nature of the ground state and the pressure-induced spin transition in CaFeO3. Physical Review B 75 (16) 165116 (2007)

  10. Sadoc, A., Broer, R. & de Graaf, C. Role of charge transfer configurations in LaMnO3, CaMnO3, and CaFeO3. Journal of Chemical Physics 126 (13) 134709 (2007)

  11. Wei, Y.Q., Wu, K.C., Broer, R., Zhuang, B.T. & Yu, Y.F. A polymeric cobalt compound [Co(DCNT)(H2O)](n) with novel topology: Synthesis, structure, luminescence, and magnetic property. Inorganic Chemistry Communications 10 (8) 910-913 (2007)

  12. Yu, Y.F., Wei, Y.Q., Broer, R. & Wu, K.C. Self-assembly of novel supramolecular silver(I) compound based on mixed ligands bipy/TST3- H3TST=2,4,6-tris (4-sulfophenylamino)-1,3,5-triazine. Inorganic Chemistry Communications 10 (11) 1289-1293 (2007)

Last modified:22 October 2012 2.29 p.m.