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ResearchZernike (ZIAM)

Refereed academic publications of 2010

Theoretical Chemistry
  1. Fernandez, J.J., Kollmar, C. & Filatov, M. Obtaining stable solutions of the optimized-effective-potential method in the basis set representation. Physical Review A 82 (2) (2010)

  2. Knijn, P.J., van Bentum, P.J.M., van Eck, E.R.H., Fang, C.M., Grimminck, D.L.A.G., de Groot, R.A., Havenith, R.W.A., Marsman, M., Meerts, W.L., de Wijs, G.A. & Kentgens, A.P.M. A solid-state NMR and DFT study of compositional modulations in AlxGa1-xAs. Physical Chemistry Chemical Physics 12 (37) 11517-11535 (2010)

  3. Kurian, R. & Filatov, M. Calibration of Fe-57 isomer shift from ab initio calculations: can theory and experiment reach an agreement? Physical Chemistry Chemical Physics 12 (11) 2758-2762 (2010)

  4. Linker, G.J., van Loosdrecht, P.H.M., van Duijnen, P. & Broer, R. Comparison of ab initio molecular properties of EDO-TTF with the properties of the (EDO-TTF)(2)PF6 crystal. Chemical Physics Letters 487 (4-6) 220-225 (2010)

  5. Maurice, R., Pradipto, A.M., Guihery, N., Broer, R. & de Graaf, C. Antisymmetric magnetic interactions in oxo-bridged copper(II) bimetallic systems. Journal of Chemical Theory and Computation 6 (10) 3092-3101 (2010)

  6. Mulder, F.A.A. & Filatov, M. NMR chemical shift data and ab initio shielding calculations: emerging tools for protein structure determination. Chemical Society Reviews 39 (2) 578-590 (2010)

  7. Remko, M., van Duijnen, P.T. & Broer, R. Molecular structure of basic oligomeric building units of heparan-sulfate glycosaminoglycans. Structural Chemistry 21 (5) 965-976 (2010)

  8. Setiawan, D., Kazaryan, A., Martoprawiro, M.A. & Filatov, M. A first principles study of fluorescence quenching in rhodamine B dimers: how can quenching occur in dimeric species? Physical Chemistry Chemical Physics 12 (37) 11238-11244 (2010)

Last modified:22 October 2012 2.29 p.m.