Sfoglia per Autore
Extending the polarizable continuum model to effective ab initio pair potentials in multicomponent solutions: A test on calcium-water and calcium-ammonia potentials
2002-01-01 Floris, FRANCA MARIA; J. M., Martinez; Tomasi, Iacopo
Solubility of water in liquid hydrocarbons: a bridge between the polarizable continuum model and the mobile order theory
2003-01-01 Amovilli, Claudio; Floris, FRANCA MARIA
Nonideal Effects on the Excess Volume from Small to Large Cavities in TIP4P water
2004-01-01 Floris, FRANCA MARIA
Modeling the Cavitation Free Energy
2005-01-01 Floris, FRANCA MARIA
Coupling Quantum Monte Carlo to a Nonlinear Polarizable Continuum Model for Spherical Solutes
2006-01-01 Amovilli, Claudio; C., Filippi; Floris, FRANCA MARIA
Excess densities and equimolar surfaces for spherical cavities in water
2007-01-01 Floris, FRANCA MARIA
Quantum Monte Carlo formulation of volume polarization in dielectric continuum theory
2008-01-01 Amovilli, Claudio; Filippi, Claudia; Floris, FRANCA MARIA
Volume Errors and equimolar surfaces
2012-01-01 Floris, FRANCA MARIA
A density functional and quantum Monte Carlo study of glutamic acid in vacuo and in a dielectric continuum medium
2012-01-01 Floris, FRANCA MARIA; Filippi, Claudia; Amovilli, Claudio
Erratum:Note: Volume errors and equimolar surfaces? [J. Chem. Phys. 136, 116102 (2012)]
2013-01-01 Floris, FRANCA MARIA
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.
Electronic excitations in a dielectric continuum solvent with quantum Monte Carlo: Acrolein in water
2014-01-01 Floris, FRANCA MARIA; Claudia, Filippi; Amovilli, Claudio
Solvent Effects on Excited-State Structures: A Quantum Monte Carlo and Density Functional Study
2014-01-01 Riccardo, Guareschi; Floris, FRANCA MARIA; Amovilli, Claudio; Claudia, Filippi
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
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
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
Effect of increasing pressure on excess volumes for cavities in TIP4P water
2016-01-01 Floris, FRANCA MARIA
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
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