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Journal of Chemical Theory and Computation|February 28, 2025
Method to Compute the Interaction Energy of a Molecule in Ground and Excited States with a Discrete Environment: The Case of Uracil in WaterClaudio Amovilli, Franca Maria Floris
Journal of Chemical Theory and Computation|October 3, 2022
Method to Compute the Solute-Solvent Dispersion Contribution to the Electronic Excitation Energy in SolutionClaudio Amovilli, Franca Maria Floris
The Journal of Physical Chemistry. A|December 24, 2014
Study of dispersion forces with quantum Monte Carlo: toward a continuum model for solvationClaudio Amovilli, Franca Maria Floris
The Journal of Chemical Physics|August 28, 2012
A density functional and quantum Monte Carlo study of glutamic acid in vacuo and in a dielectric continuum mediumFranca Maria Floris, Claudia Filippi, Claudio Amovilli
The Journal of Chemical Physics|January 7, 2009
Quantum Monte Carlo formulation of volume polarization in dielectric continuum theoryClaudio Amovilli, Claudia Filippi, Franca Maria Floris
The Journal of Physical Chemistry. B|December 22, 2006
Coupling quantum Monte Carlo to a nonlinear polarizable continuum model for spherical solutesClaudio Amovilli, Claudia Filippi, Franca Maria Floris
The Journal of Chemical Physics|February 12, 2015
Electronic excitations in a dielectric continuum solvent with quantum Monte Carlo: acrolein in waterFranca Maria Floris, Claudia Filippi, Claudio Amovilli
Journal of Chemical Theory and Computation|November 20, 2015
Solvent Effects on Excited-State Structures: A Quantum Monte Carlo and Density Functional StudyRiccardo Guareschi, Franca Maria Floris, Claudio Amovilli, et al.
Journal of Chemical Theory and Computation|March 10, 2016
Introducing QMC/MMpol: Quantum Monte Carlo in Polarizable Force Fields for Excited StatesRiccardo Guareschi, Habiburrahman Zulfikri, Csaba Daday, et al.
The Journal of Chemical Physics|March 3, 2007
Excess densities and equimolar surfaces for spherical cavities in waterFranca Maria Floris
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