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Journal of Chemical Theory and Computation
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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 Water
Claudio 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 Solution
Claudio 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 solvation
Claudio Amovilli, Franca Maria Floris
Journal of Computational Chemistry
|
October 24, 2013
Multi-level quantum Monte Carlo wave functions for complex reactions: the decomposition of α-hydroxy-dimethylnitrosamine
Francesco Fracchia, Claudia Filippi, Claudio Amovilli
Journal of Chemical Theory and Computation
|
November 24, 2015
Size-Extensive Wave Functions for Quantum Monte Carlo: A Linear Scaling Generalized Valence Bond Approach
Francesco Fracchia, Claudia Filippi, Claudio Amovilli
Journal of Chemical Theory and Computation
|
January 14, 2016
Multiple-Resonance Local Wave Functions for Accurate Excited States in Quantum Monte Carlo
Habiburrahman Zulfikri, Claudio Amovilli, Claudia Filippi
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 medium
Franca Maria Floris, Claudia Filippi, Claudio Amovilli
Journal of Chemical Theory and Computation
|
November 20, 2015
Barrier Heights in Quantum Monte Carlo with Linear-Scaling Generalized-Valence-Bond Wave Functions
Francesco Fracchia, Claudia Filippi, Claudio Amovilli
The Journal of Physical Chemistry. B
|
October 11, 2014
Electronic Excitations in Nonpolar Solvents: Can the Polarizable Continuum Model Accurately Reproduce Solvent Effects?
Lorenzo Cupellini, Claudio Amovilli, Benedetta Mennucci
The Journal of Chemical Physics
|
January 7, 2009
Quantum Monte Carlo formulation of volume polarization in dielectric continuum theory
Claudio Amovilli, Claudia Filippi, Franca Maria Floris
Page
of 2
Search research articles
Search
Showing results (1-10 of 15) with videos related to
Sort By:
Page
of 2
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 Water
Claudio 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 Solution
Claudio 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 solvation
Claudio Amovilli, Franca Maria Floris
Journal of Computational Chemistry
|
October 24, 2013
Multi-level quantum Monte Carlo wave functions for complex reactions: the decomposition of α-hydroxy-dimethylnitrosamine
Francesco Fracchia, Claudia Filippi, Claudio Amovilli
Journal of Chemical Theory and Computation
|
November 24, 2015
Size-Extensive Wave Functions for Quantum Monte Carlo: A Linear Scaling Generalized Valence Bond Approach
Francesco Fracchia, Claudia Filippi, Claudio Amovilli
Journal of Chemical Theory and Computation
|
January 14, 2016
Multiple-Resonance Local Wave Functions for Accurate Excited States in Quantum Monte Carlo
Habiburrahman Zulfikri, Claudio Amovilli, Claudia Filippi
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 medium
Franca Maria Floris, Claudia Filippi, Claudio Amovilli
Journal of Chemical Theory and Computation
|
November 20, 2015
Barrier Heights in Quantum Monte Carlo with Linear-Scaling Generalized-Valence-Bond Wave Functions
Francesco Fracchia, Claudia Filippi, Claudio Amovilli
The Journal of Physical Chemistry. B
|
October 11, 2014
Electronic Excitations in Nonpolar Solvents: Can the Polarizable Continuum Model Accurately Reproduce Solvent Effects?
Lorenzo Cupellini, Claudio Amovilli, Benedetta Mennucci
The Journal of Chemical Physics
|
January 7, 2009
Quantum Monte Carlo formulation of volume polarization in dielectric continuum theory
Claudio Amovilli, Claudia Filippi, Franca Maria Floris
Page
of 2