50 citations · 291 across the 8 of their papers we have counts for
Showing 2019 · physics.chem-phShow all
2 papers · 2 filters
physics.chem-ph2019★ 49 cited
On the Calculation of IR Spectra with a Fully Polarizable QM/MM Approach Based on Fluctuating Charges and Fluctuating Dipoles
Tommaso Giovannini, Laura Grazioli, Matteo Ambrosetti +1
The fully polarizable QM/MM approach based on fluctuating charges and fluctuating dipoles, named QM/FQFμ (J. Chem. Theory Comput. 2019, 15, 2233-2245), is extended to the evaluatio…
physics.chem-ph2019★ 50 cited
Electronic Transitions for a Fully Polarizable QM/MM Approach Based on Fluctuating Charges and Fluctuating Dipoles: Linear and Corrected Linear Response Regimes
Tommaso Giovannini, Rosario Roberto Riso, Matteo Ambrosetti +2
Fully polarizable QM/MM approach based on fluctuating charges and fluctuating dipoles, named QM/FQFμ (J. Chem. Theory Comput. 2019, 15 2233-2245), is extended to the calculation of…