FLORIS, FRANCA MARIA Statistiche
FLORIS, FRANCA MARIA
DIPARTIMENTO DI CHIMICA E CHIMICA INDUSTRIALE
Hydrophilic Versus Hydrophobic Coupling in the Pressure Dependence of the Chemical Potential of Alkali Metal and Halide Ions in Water
2022-01-01 Tonti, L.; Floris, F. M.
Method to Compute the Solute-Solvent Dispersion Contribution to the Electronic Excitation Energy in Solution
2022-01-01 Amovilli, C.; Floris, F. M.
Calculation of potential energy surfaces with quantum Monte Carlo as a useful tool for the design of green chemical syntheses: The HOCO radical test case.
2021-01-01 Amovilli, C.; Floris, F. M.
How increasing pressure affects the ion hydration structure and shell properties at ambient temperature
2021-01-01 Tonti, L.; Floris, F. M.
Intermolecular Pauli repulsion: a QMC study of molecules in ground and excited state in free space and in solution
2020-01-01 Floris, F. M.; Amovilli, C.
On the effect of solute-solvent Pauli repulsion on n → π* transition for acrolein in water solution
2020-01-01 Amovilli, C.; Floris, F. M.
Critical conditions (zero ionization potential) in model N_2-like molecular ions
2018-01-01 Amovilli, C.; Floris, F. M.
Shannon entropy and correlation energy for electrons in atoms
2018-01-01 Amovilli, C.; Floris, F. M.
Shannon Entropy in Atoms: A Test for the Assessment of Density Functionals in Kohn-Sham Theory
2018-01-01 Amovilli, C.; Floris, F. M.
Excess Volumes from the Pressure Derivative of the Excess Chemical Potential: Testing Simple Models for Cavity Formation in Water
2017-01-01 Floris, FRANCA MARIA
Tallberg, DFT17 Poster A20: Shannon entropy and correlation energy for electrons in atoms
2017-01-01 Floris, F. M.; Amovilli, C.
Effect of increasing pressure on excess volumes for cavities in TIP4P water
2016-01-01 Floris, FRANCA MARIA
Introducing QMC/MMpol: Quantum Monte Carlo in Polarizable Force Fields for Excited States
2016-01-01 Guareschi, Riccardo; Zulfikri, Habiburrahman; Daday, Csaba; Floris, FRANCA MARIA; Amovilli, Claudio; Mennucci, Benedetta; Filippi, Claudia
Localized Polycentric Orbital Basis Set for Quantum Monte Carlo Calculations Derived from the Decomposition of Kohn-Sham Optimized Orbitals
2016-01-01 Amovilli, Claudio; Floris, FRANCA MARIA; Grisafi, Andrea
Poster 0157: A novel continuum model for the calculation of solute-solvent dispersion contribution to the electronic excitation energy in solution.
2016-01-01 Amovilli, C.; Floris, F. M.
The formation of a cavity in water: Changes of water distribution and prediction of the excess chemical potential of a hard-sphere solute under increasing pressure
2016-01-01 Floris, FRANCA MARIA
Debrecen, DFT15 Poster: Localized polycentric orbital basis set for Quantum Monte Carlo calculations derived from the decomposition of Kohn-Sham optimized orbitals
2015-01-01 Amovilli, C.; Floris, F. M.; Grisafi, A.
Study of dispersion forces with Quantum Monte Carlo: toward a continuum model for solvation
2015-01-01 Amovilli, Claudio; Floris, FRANCA MARIA
Electronic excitations in a dielectric continuum solvent with quantum Monte Carlo: Acrolein in water
2014-01-01 Floris, FRANCA MARIA; Claudia, Filippi; Amovilli, Claudio
Poster P15: Excited states of molecular solutes with Quantum Monte Carlo: vertical transition and geometry optimization
2014-01-01 Floris, F. M.; Guareschi, R.; Amovilli, C.; Filippi, C.