Rita Prosmiti

Publication Activity (10 Years)

Years Active: 2018-2024
Publications (10 Years): 28

Top Topics

Density Functional Theory

Machine Learning

Helicobacter Pylori Infection

Top Venues

Physical chemistry chemical physics : PCCP

Chemphyschem : a European journal of chemical physics and physical chemistry

Molecules (Basel, Switzerland)

The journal of physical chemistry. A

This page only lists publications with an associated author ORCID identifier.

Publications

Rita Prosmiti, Tomás González-Lezana
Computational Modeling: Up-to-Date Approaches and Cutting-Edge Applications from Clusters, Nanostructures to Bulk Systems. Chemphyschem : a European journal of chemical physics and physical chemistry 25 (13) (2024)
Raquel Yanes-Rodríguez, Rita Prosmiti
Analysing the stability of He-filled hydrates: how many He atoms fit in the sII crystal? Physical chemistry chemical physics : PCCP (2024)
María Judit Montes de Oca-Estévez, Álvaro Valdés, Rita Prosmiti
A kernel-based machine learning potential and quantum vibrational state analysis of the cationic Ar hydride (Ar 2 H + ). Physical chemistry chemical physics : PCCP 26 (8) (2024)
María Judit Montes de Oca-Estévez, Álvaro Valdés, Rita Prosmiti
A kernel-based machine learning potential and quantum vibrational state analysis of the cationic Ar hydride (Ar 2 H + ). Physical chemistry chemical physics : PCCP (2024)
María Judit Montes de Oca-Estévez, Álvaro Valdés, Rita Prosmiti
A kernel-based machine learning potential and quantum vibrational state analysis of the cationic Ar hydride (Ar 2 H + ). Physical chemistry chemical physics : PCCP 26 (8) (2024)
María Judit Montes de Oca-Estévez, Rita Prosmiti
Microsolvation of a Proton by Ar Atoms: Structures and Energetics of Ar n H + Clusters. Molecules (Basel, Switzerland) 29 (17) (2024)
Rita Prosmiti, Tomás González-Lezana
Computational Modeling: Up-to-Date Approaches and Cutting-Edge Applications from Clusters, Nanostructures to Bulk Systems. Chemphyschem : a European journal of chemical physics and physical chemistry 25 (13) (2024)
Rita Prosmiti, Tomás González-Lezana
Computational Modeling: Up-to-Date Approaches and Cutting-Edge Applications from Clusters, Nanostructures to Bulk Systems. Chemphyschem : a European journal of chemical physics and physical chemistry (2024)
Raquel Yanes-Rodríguez, Rita Prosmiti
Analysing the stability of He-filled hydrates: how many He atoms fit in the sII crystal? Physical chemistry chemical physics : PCCP 26 (3) (2024)
Raquel Yanes-Rodríguez, Rita Prosmiti
Analysing the stability of He-filled hydrates: how many He atoms fit in the sII crystal? Physical chemistry chemical physics : PCCP 26 (3) (2024)
Álvaro Valdés, Adriana Cabrera-Ramírez, Rita Prosmiti
Confining CO 2 inside sI clathrate-hydrates: The impact of the CO 2 -water interaction on quantized dynamics. Journal of computational chemistry (2023)
Raquel Yanes-Rodríguez, Rita Prosmiti
Computational investigations of stable multiple-cage-occupancy He clathrate-like hydrostructures. Physical chemistry chemical physics : PCCP (2023)
Raquel Yanes-Rodríguez, Rita Prosmiti
Confining He Atoms in Diverse Ice-Phases: Examining the Stability of He Hydrate Crystals through DFT Approaches. Molecules (Basel, Switzerland) 28 (23) (2023)
Orlando Carrillo-Bohórquez, Álvaro Valdés, Rita Prosmiti
Unraveling the Origin of Symmetry Breaking in H 2 O@C 60 Endofullerene Through Quantum Computations. Chemphyschem : a European journal of chemical physics and physical chemistry 23 (9) (2022)
Raquel Yanes-Rodríguez, Rita Prosmiti
Assessment of DFT approaches in noble gas clathrate-like clusters: stability and thermodynamics. Physical chemistry chemical physics : PCCP 24 (3) (2022)
Adriana Cabrera-Ramírez, Rita Prosmiti
Modeling of Structure H Carbon Dioxide Clathrate Hydrates: Guest-Lattice Energies, Crystal Structure, and Pressure Dependencies. The journal of physical chemistry. C, Nanomaterials and interfaces 126 (35) (2022)
Raúl Rodríguez-Segundo, Daniel J Arismendi-Arrieta, Rita Prosmiti
A Benchmark Protocol for DFT Approaches and Data-Driven Models for Halide-Water Clusters. Molecules (Basel, Switzerland) 27 (5) (2022)
Raquel Yanes-Rodríguez, Adriana Cabrera-Ramírez, Rita Prosmiti
Delving into guest-free and He-filled sI and sII clathrate hydrates: a first-principles computational study. Physical chemistry chemical physics : PCCP 24 (21) (2022)
Raúl Rodríguez-Segundo, Alfonso Gijón, Rita Prosmiti
Quantum molecular simulations of micro-hydrated halogen anions. Physical chemistry chemical physics : PCCP 24 (24) (2022)
Adriana Cabrera-Ramírez, Daniel J Arismendi-Arrieta, Álvaro Valdés, Rita Prosmiti
Exploring CO2 @sI Clathrate Hydrates as CO2 Storage Agents by Computational Density Functional Approaches. Chemphyschem : a European journal of chemical physics and physical chemistry 22 (4) (2021)
Orlando Carrillo-Bohórquez, Álvaro Valdés, Rita Prosmiti
Encapsulation of a Water Molecule inside C60 Fullerene: The Impact of Confinement on Quantum Features. Journal of chemical theory and computation 17 (9) (2021)
Raquel Yanes-Rodríguez, Daniel J Arismendi-Arrieta, Rita Prosmiti
He Inclusion in Ice-like and Clathrate-like Frameworks: A Benchmark Quantum Chemistry Study of Guest-Host Interactions. Journal of chemical information and modeling 60 (6) (2020)
Adriana Cabrera-Ramírez, Daniel J Arismendi-Arrieta, Álvaro Valdés, Rita Prosmiti
Structural Stability of the CO2 @sI Hydrate: a Bottom-Up Quantum Chemistry Approach on the Guest-Cage and Inter-Cage Interactions. Chemphyschem : a European journal of chemical physics and physical chemistry 21 (23) (2020)
Aleš Vítek, Daniel J Arismendi-Arrieta, Martina Šarmanová, René Kalus, Rita Prosmiti
Finite Systems under Pressure: Assessing Volume Definition Models from Parallel-Tempering Monte Carlo Simulations. The journal of physical chemistry. A 124 (20) (2020)
Nissrin Alharzali, Hamid Berriche, Pablo Villarreal, Rita Prosmiti
Theoretical Study of Cationic Alkali Dimers Interacting with He: Li2+-He and Na2+-He van der Waals Complexes. The journal of physical chemistry. A 123 (36) (2019)
Iván León-Merino, Raúl Rodríguez-Segundo, Daniel J Arismendi-Arrieta, Rita Prosmiti
Assessing Intermolecular Interactions in Guest-Free Clathrate Hydrate Systems. The journal of physical chemistry. A 122 (5) (2018)
Daniel J Arismendi-Arrieta, Álvaro Valdés, Rita Prosmiti
A Systematic Protocol for Benchmarking Guest-Host Interactions by First-Principles Computations: Capturing CO2 in Clathrate Hydrates. Chemistry (Weinheim an der Bergstrasse, Germany) 24 (37) (2018)
Álvaro Valdés, Orlando Carrillo-Bohórquez, Rita Prosmiti
Fully Coupled Quantum Treatment of Nanoconfined Systems: A Water Molecule inside a Fullerene C60. Journal of chemical theory and computation 14 (12) (2018)