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List of works by Rita Prosmiti

A Benchmark Protocol for DFT Approaches and Data-Driven Models for Halide-Water Clusters

scientific article published in 2022

A Systematic Protocol for Benchmarking Guest-Host Interactions by First-Principles Computations: Capturing CO2 in Clathrate Hydrates.

scientific article published on 30 March 2018

Assessing Intermolecular Interactions in Guest-Free Clathrate Hydrate Systems

scientific article

Encapsulation of a Water Molecule inside C<sub>60</sub> Fullerene: The Impact of Confinement on Quantum Features

scientific article published on 23 August 2021

Finite Systems under Pressure: Assessing Volume Definition Models from Parallel-Tempering Monte Carlo Simulations

scientific article published on 08 May 2020

Fully Coupled Quantum Treatment of Nanoconfined Systems: A Water Molecule inside a Fullerene C60

scientific article published on 20 November 2018

Modeling of Structure H Carbon Dioxide Clathrate Hydrates: Guest–Lattice Energies, Crystal Structure, and Pressure Dependencies

scientific article published in 2022

Modelling interactions of cationic dimers in He droplets: microsolvation trends in HenK2+ clusters

scientific article published on 21 November 2020

The smallest proton-bound dimer H5+: theoretical progress

scientific article published on 05 August 2019

Theoretical Study of Cationic Alkali Dimers Interacting with He: Li2+-He and Na2+-He van der Waals Complexes

scientific article published on 04 September 2019

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