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ResearchZernike (ZIAM)

Refereed academic publications of 2008

Theoretical Chemistry
  1. Bagus, P.S., Broer, R. & Ilton, E.S. Atomic near-degeneracy for photoemission: Generality of 4f excitations. Journal of Electron Spectroscopy and Related Phenomena 165 (1-3) 46-49 (2008)

  2. Cremer, D., Kraka, E. & Filatov, M. Bonding in mercury molecules described by the normalized elimination of the small component and coupled cluster theory. Chemphyschem 9 (17) 2510-2521 (2008)

  3. Danovich, D. & Filatov, M. No-pair bonding in coinage metal dimers. Journal of Physical Chemistry A 112 (50) 12995-13001 (2008)

  4. Kazaryan, A., Heuver, J. & Filatov, M. Excitation energies from spin-restricted ensemble-referenced Kohn-Sham method: A state-average approach. Journal of Physical Chemistry A 112 (50) 12980-12988 (2008)

  5. Kollmar, C. & Filatov, M. The role of orbital products in the optimized effective potential method. Journal of Chemical Physics 128 (6) art. 064101 (2008)

  6. Kurian, R. & Filatov, M. DFT approach to the calculation of Mosssbauer isomer shifts. Journal of Chemical Theory and Computation 4 (2) 278-285 (2008)

  7. Luzon, J., Castro, M., Vertelman, E.J.M., Gengler, R.Y.N., van Koningsbruggen, P.J., Molodtsova, O., Knupfer, M., Rudolf, P., van Loosdrecht, P.H.M. & Broer, R. Prediction of the equilibrium structures and photomagnetic properties of the Prussian blue analogue RbMn[Fe(CN)(6)] by density functional theory. Journal of Physical Chemistry A 112 (25) 5742-5748 (2008)

  8. Sadoc, A., Broer, R. & de Graaf, C. CASSCF study of the relation between the Fe charge and the Mossbauer isomer shift. Chemical Physics Letters 454 (4-6) 196-200 (2008)

  9. Yu, Y.F., Wei, Y.Q., Broer, R., Sa, R.J. & Wu, K.C. Mononuclear, trinuclear, and hetero-trinuclear supramolecular complexes containing a new tri-sulfonate ligand and cobalt(II)/copper(II)-(1, 10-phenanthroline)(2) building blocks. Journal of Solid State Chemistry 181 (3) 539-551 (2008)

Last modified:22 October 2012 2.30 p.m.