FLORIS, FRANCA MARIA Statistiche

FLORIS, FRANCA MARIA  

DIPARTIMENTO DI CHIMICA E CHIMICA INDUSTRIALE  

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Titolo Data di pubblicazione Autore(i) File
A computational ab initio model for the evaluation of thermodynamic functions for solvent transfer processes 1-gen-1990 R., Bonaccorsi; Floris, FRANCA MARIA; Tomasi, Iacopo
A density functional and quantum Monte Carlo study of glutamic acid in vacuo and in a dielectric continuum medium 1-gen-2012 Floris, FRANCA MARIA; Filippi, Claudia; Amovilli, Claudio
A MCSCF study of the SN2 Menshutkin reaction in Aqueous Solution within the Polarizable Continuum Model 1-gen-1998 Amovilli, C.; Mennucci, Benedetta; Floris, F. M.
A study of aqueous solutions of lanthanide ions by molecular dynamics simulation with ab initio effective pair potentials 1-gen-2001 Floris, F. M.; Tani, Alessandro
A study of aqueous solutions of lanthanide ions by molecular dynamics simulation with effective pair potentials 1-gen-2001 Floris, FRANCA MARIA; Tani, Alessandro
Ab initio effective pair potentials for simulations of the liquid state, based on the polarizable continuum model of the solvent 1-gen-1992 Floris, FRANCA MARIA; Persico, Maurizio; Tani, Alessandro; Tomasi, Iacopo
ABINITIO EFFECTIVE PAIR POTENTIALS FOR SIMULATIONS OF THE LIQUID-STATE, BASED ON THE POLARIZABLE CONTINUUM MODEL OF THE SOLVENT 1-gen-1992 Floris, FRANCA MARIA; Persico, Maurizio; Tani, Alessandro; Tomasi, J.
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. 1-gen-2021 Amovilli, C.; Floris, F. M.
Coupling Quantum Monte Carlo to a Nonlinear Polarizable Continuum Model for Spherical Solutes 1-gen-2006 Amovilli, Claudio; C., Filippi; Floris, FRANCA MARIA
Critical conditions (zero ionization potential) in model N_2-like molecular ions 1-gen-2018 Amovilli, C.; Floris, F. M.
Debrecen, DFT15 Poster: Localized polycentric orbital basis set for Quantum Monte Carlo calculations derived from the decomposition of Kohn-Sham optimized orbitals 1-gen-2015 Amovilli, C.; Floris, F. M.; Grisafi, A.
Degenerate lithium-hydrogen exchange reactions: an alternative mechanism for metalation of CH4 in gas phase and in THF solution 1-gen-1998 Coitino, E. L.; Tomasi, Iacopo; Floris, FRANCA MARIA; Ciuffarin, E.
Dispersion and repulsion contributions to the solvation energy: refinements to a simple computational model in the continuum approximation 1-gen-1991 Floris, FRANCA MARIA; J., Tomasi; J. L., PASCUAL AHUIR
Effect of increasing pressure on excess volumes for cavities in TIP4P water 1-gen-2016 Floris, FRANCA MARIA
Electronic excitations in a dielectric continuum solvent with quantum Monte Carlo: Acrolein in water 1-gen-2014 Floris, FRANCA MARIA; Claudia, Filippi; Amovilli, Claudio
Erratum:Note: Volume errors and equimolar surfaces? [J. Chem. Phys. 136, 116102 (2012)] 1-gen-2013 Floris, FRANCA MARIA
Evaluation of dispersion-repulsion contributions to the solvation energy. Calibration of the uniform approximation with the aiad of RISM calculations 1-gen-1993 Floris, FRANCA MARIA; Tani, Alessandro; Tomasi, Iacopo
Evaluation of the dispersion contribution to the solvation energy. Computational model in the continuum approximation 1-gen-1989 Floris, FRANCA MARIA; Tomasi, Iacopo
Excess densities and equimolar surfaces for spherical cavities in water 1-gen-2007 Floris, FRANCA MARIA
Excess Volumes from the Pressure Derivative of the Excess Chemical Potential: Testing Simple Models for Cavity Formation in Water 1-gen-2017 Floris, FRANCA MARIA