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Luca Frediani

Associate Professor
Image of Luca Frediani
Phone +47 776 44082
Visiting address C-304
Postal address CTCC Department of Chemistry University of Tromsø N-9037 Tromsø Norway

Research interests

  • Wavelet and Multiwavelet Methods in Theoretical Chemistry,
  • Molecular Properties.
  • Solvent Effects
  • QM/MM Methods

Curriculum Vitae

CV (pdf)

 

Publications

Selected publications

  • R. Di Remigio, R. Bast, and L. Frediani, “4-Component Relativistic Calculations in Solution with the Polarizable Continuum Model of Solvation: Theory, Implementation and Application to the Group 16 elements of the periodic table ”, The Journal of Physical Chemistry (2014) 10.1021/jp507279y.

  • K. H. Hopmann, L. Frediani, and A. Bayer, “Iridium-PHOX-Mediated Alkene Hydrogenation: Isomerization Influences the Stereochemical Outcome”, Organometallics 33, 2790–2797 (2014).

  • L. Frediani, E. Fossgaard, T. Flå, and K. Ruud, “Fully adaptive algorithms for multivariate integral equations using the non-standard form and multiwavelets with applications to the Poisson and bound-state Helmholtz kernels in three dimensions”, Mol Phys 111, 1143–1160 (2013).

  • V. Weijo, M. Randrianarivony, H. Harbrecht, and L. Frediani. Wavelet formulation of the polarizable continuum model. J Comp. Chem., 2010. J Comput Chem 31, 1469–1477 (2010).

  • L. Ferrighi, L. Frediani, and K. Ruud. Excited-state polarizabilities of solvated moleculesusing cubic response theory and the polarizable continuum model. The Journal of Chemical Physics, 132(2):024107, 2010
  • L. Ferrighi, L. Frediani, E. Fossgaard, and K. Ruud. Two-photon absorption of [2.2]paracyclophane derivatives in solution: A theoretical investigation. J. Chem. Phys., 127(24):244103, 2007.
  • L. Bondesson, L. Frediani, H. Agren, and B. Mennucci. Solvation of N−3 at the water surface: The Polarizable Continuum Model approach. J. Phys. Chem. B, 110(23):11361–11368, 2006.
  • L. Frediani, R. Cammi, S. Corni, and J. Tomasi. A Polarizable Continuum Model for molecules at diffuse interfaces. J. Chem. Phys., 120:3893–3907, 2004.
  • R. Cammi, L. Frediani, B. Mennucci, and K. Ruud. Multiconfigurational Self-Consistent Field Linear  Response for the Polarizable Continuum Model: Theory and application to ground and excited-state  polarizabilities of para-nitroaniline in solution. J. Chem. Phys., 119:5818–5827, 2003

 

Published Jan. 9, 2012 2:24 PM - Last modified Oct. 1, 2015 3:13 PM