Nicola De Mitri

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

Vincenzo Barone, Ivo Cacelli, Nicola De Mitri et al. · Physical Chemistry Chemical Physics · 2013 · 106 citations

Engineering, Computational Chemistry, Chemistry +18

Absorption and Emission Spectra of a Flexible Dye in Solution: A Computational Time-Dependent Approach

Nicola De Mitri, Susanna Monti, Giacomo Prampolini et al. · Journal of Chemical Theory and Computation · 2013 · 96 citations · Full text

Engineering, Absorption Spectroscopy, Computational Chemistry +22

Analytical First and Second Derivatives for a Fully Polarizable QM/Classical Hamiltonian

Filippo Lipparini, Chiara Cappelli, Giovanni Scalmani et al. · Journal of Chemical Theory and Computation · 2012 · 81 citations

Spectral Theory, Engineering, Second Derivatives +16

Understanding the Influence of Surface Solvation and Structure on Polymorph Stability: A Combined Mechanochemical and Theoretical Approach

Ana M. Belenguer, Giulio I. Lampronti, Nicola De Mitri et al. · Journal of the American Chemical Society · 2018 · 76 citations

Materials Science, Surface Solvation, Engineering +15

An Activatable Cancer-Targeted Hydrogen Peroxide Probe for Photoacoustic and Fluorescence Imaging

Judith Weber, Laura Ansel-Bollepalli, Ana M. Belenguer et al. · Cancer Research · 2019 · 51 citations · Full text