All Stories

  1. Automated parameterization of quantum-mechanically derived force-fields including explicit sigma holes: A pathway to energetic and structural features of halogen bonds in gas and condensed phase

    Article • The Journal of Chemical Physics, July 2020, American Institute of Physics

    Giacomo Prampolini

  2. Accurate interaction energies by spin component scaled Möller-Plesset second order perturbation theory calculations with optimized basis sets (SCS-MP2mod): Development and application to aromatic heterocycles

    Article • The Journal of Chemical Physics, June 2019, American Institute of Physics

    Giacomo Prampolini

  3. Intermolecular interactions in eumelanins: a computational bottom-up approach. I. small building blocks

    Article • RSC Advances, January 2015, Royal Society of Chemistry

    Giacomo Prampolini

  4. Unraveling the interplay of different contributions to the stability of the quinhydrone dimer

    Article • RSC Advances, January 2014, Royal Society of Chemistry

    Giacomo Prampolini

  5. Structural, dynamic and photophysical properties of a fluorescent dye incorporated in an amorphous hydrophobic polymer bundle

    Article • Physical Chemistry Chemical Physics, January 2014, Royal Society of Chemistry

    Giacomo Prampolini

  6. Joyce and Ulysses: integrated and user-friendly tools for the parameterization of intramolecular force fields from quantum mechanical data

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

    Giacomo Prampolini

  7. An automated approach for the parameterization of accurate intermolecular force‐fields: Pyridine as a case study

    Article • Journal of Computational Chemistry, February 2012, Wiley

    Giacomo Prampolini

  8. Realistic Modeling of Fluorescent Dye-Doped Silica Nanoparticles: A Step Toward the Understanding of their Enhanced Photophysical Properties.

    Article • Chemistry of Materials, October 2011, American Chemical Society (ACS)

    Giacomo Prampolini

  9. Fluorescence spectra of organic dyes in solution: a time dependent multilevel approach

    Article • Physical Chemistry Chemical Physics, January 2011, Royal Society of Chemistry

    Giacomo Prampolini

  10. Geometry Optimization of Large and Flexible van der Waals Dimers: A Fragmentation−Reconstruction Approach

    Article • Journal of Chemical Theory and Computation, July 2010, American Chemical Society (ACS)

    Giacomo Prampolini

  11. Theoretical multilevel approach for studying the photophysical properties of organic dyes in solution

    Article • Physical Chemistry Chemical Physics, January 2010, Royal Society of Chemistry

    Giacomo Prampolini

  12. Chemical Detail Force Fields for Mesogenic Molecules

    Article • Journal of Chemical Theory and Computation, May 2009, American Chemical Society (ACS)

    Giacomo Prampolini

  13. Computational study through atomistic potentials of a partial bilayer liquid crystal: structure and dynamics

    Article • Soft Matter, January 2009, Royal Society of Chemistry

    Giacomo Prampolini

  14. Force‐field modeling through quantum mechanical calculations: Molecular dynamics simulations of a nematogenic molecule in its condensed phases

    Article • Journal of Computational Chemistry, July 2008, Wiley

    Giacomo Prampolini

  15. Parametrization and Validation of Intramolecular Force Fields Derived from DFT Calculations

    Article • Journal of Chemical Theory and Computation, August 2007, American Chemical Society (ACS)

    Giacomo Prampolini

  16. Parametrization and Validation of Coarse Grained Force-Fields Derived from ab Initio Calculations

    Article • Journal of Chemical Theory and Computation, March 2006, American Chemical Society (ACS)

    Giacomo Prampolini

  17. Modeling a Liquid Crystal Dynamics by Atomistic Simulation with an Ab Initio Derived Force Field

    Article • The Journal of Physical Chemistry B, January 2006, American Chemical Society (ACS)

    Giacomo Prampolini