Publications

  • G-J. Linker, P.Th. van Duijnen, P.H.M. van Loosdrecht, R. Broer, Molecular Physics, 115 (17-18), 2180-2184 (2017), “The thermal metal—insulator phase transition in (EDO-TTF)2PF6
  • G-J. Linker, PhD thesis (2016), “Quantum chemical studies of the physics around the metal-insulator transition in (EDO-TTF)2PF6
  • G-J. Linker, P.H.M. van Loosdrecht, P.Th. van Duijnen, R. Broer, Physical Chemistry Chemical Physics 17 (45), 30371-30377 (2015), “Periodic Hartree–Fock and hybrid density functional calculations on the metallic and the insulating phase of (EDO-TTF)2PF6
  • G-J. Linker, P.Th. van Duijnen, P.H.M. van Loosdrecht, R. Broer, Computational and Theoretical Chemistry 1069, 105-111 (2015), “Theoretical study of the ground state of (EDO-TTF) 2PF6
  • G-J. Linker, P.Th. van Duijnen, P.H.M. van Loosdrecht, R. Broer, The Journal of Physical Chemistry A 116 (26), 7219-7227 (2012), “Off-planar geometry and structural instability of EDO-TTF explained by using the extended Debye polarizability model for bond angles”
  • G-J. Linker, P.H.M. van Loosdrecht, P.Th. van Duijnen, R. Broer, Chemical Physics Letters 487 (4-6), 220-225 (2010), “Comparison of ab initio molecular properties of EDO-TTF with the properties of the (EDO-TTF)2PF6 crystal”
  • G-J. Linker, R. Broer, W.C. Nieuwpoort, Journal of electron spectroscopy and related phenomena 77 (2), 143-148 (1996), “Hartree-Fock study on the lower excited states of a Cu+ impurity in NaF using large embedded clusters”

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