All Stories

  1. Semilocal and hybrid density embedding calculations of ground-state charge-transfer complexes

    Article • The Journal of Chemical Physics, March 2013, American Institute of Physics

    Eduardo Fabiano

  2. A simple non-empirical procedure for spin-component-scaled MP2 methods applied to the calculation of the dissociation energy curve of noncovalently-interacting systems

    Article • Physical Chemistry Chemical Physics, January 2013, Royal Society of Chemistry

    Eduardo Fabiano

  3. Spin-dependent gradient correction for more accurate atomization energies of molecules

    Article • The Journal of Chemical Physics, November 2012, American Institute of Physics

    Eduardo Fabiano

  4. A periodic charge-dipole electrostatic model: Parametrization for silver slabs

    Article • The Journal of Chemical Physics, October 2012, American Institute of Physics

    Eduardo Fabiano

  5. On the accuracy of frozen density embedding calculations with hybrid and orbital-dependent functionals for non-bonded interaction energies

    Article • The Journal of Chemical Physics, July 2012, American Institute of Physics

    Eduardo Fabiano

  6. Exchange-correlation generalized gradient approximation for gold nanostructures

    Article • The Journal of Chemical Physics, May 2011, American Institute of Physics

    Eduardo Fabiano

  7. Monodispersed molecular donors for bulk hetero-junction solar cells: from molecular properties to device performances

    Article • Chemical Communications, January 2010, Royal Society of Chemistry

    Eduardo Fabiano