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Prosmiti, Rita
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1

A kernel-based machine learning potential and quantum vibra..:

Montes de Oca-Estévez, María Judit ; Valdés, Álvaro ; Prosmiti, Rita
Physical Chemistry Chemical Physics.  26 (2024)  8 - p. 7060-7071 , 2024
Link: https://doi.org/10.1039/..
 
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2

Computational Modeling: Up‐to‐Date Approaches and Cutting‐E..:

Prosmiti, Rita ; González‐Lezana, Tomás
ChemPhysChem.  25 (2024)  13 - p. , 2024
Link: https://doi.org/10.1002/..
 
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3

Analysing the stability of He-filled hydrates: how many He ..:

Yanes-Rodríguez, Raquel ; Prosmiti, Rita
Physical Chemistry Chemical Physics.  26 (2024)  3 - p. 2519-2528 , 2024
Link: https://doi.org/10.1039/..
 
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4

Automated learning data-driven potential models for spectro..:

de Oca-Estévez, María Judit Montes ; Prosmiti, Rita
Artificial Intelligence Chemistry.  2 (2024)  1 - p. 100059 , 2024
Link: https://doi.org/10.1016/..
 
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5

CO2 inside sI clathrate-like cages: Automated construction ..:

Valdés, Álvaro ; Prosmiti, Rita
The Journal of Chemical Physics.  160 (2024)  18 - p. , 2024
Link: https://doi.org/10.1063/..
 
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6

Confining He Atoms in Diverse Ice-Phases: Examining the Sta..:

Yanes-Rodríguez, Raquel ; Prosmiti, Rita
Molecules.  28 (2023)  23 - p. 7893 , 2023
Link: https://doi.org/10.3390/..
 
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7

Ar+ ArH+ Reactive Collisions of Astrophysical Interest: The..:

Montes de Oca‐Estévez, María Judit ; Darna, Beatriz ; García‐Ruiz, Borja...
ChemPhysChem.  24 (2023)  20 - p. , 2023
Link: https://doi.org/10.1002/..
 
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8

Computational molecular dynamics simulations of cationic al..:

Yanes-Rodríguez, Raquel ; Rodríguez-Segundo, Raúl ; Villarreal, Pablo.
The European Physical Journal D.  77 (2023)  6 - p. , 2023
Link: https://doi.org/10.1140/..
 
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9

Confining CO2 inside sI clathrate‐hydrates: The impact of t..:

Valdés, Álvaro ; Cabrera‐Ramírez, Adriana ; Prosmiti, Rita
Journal of Computational Chemistry.  44 (2023)  17 - p. 1587-1598 , 2023
Link: https://doi.org/10.1002/..
 
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10

Computational Energy Spectra of the H2O@C70 Endofullerene:

Carrillo‐Bohórquez, Orlando ; Valdés, Álvaro ; Prosmiti, Rita
ChemPhysChem.  24 (2023)  23 - p. , 2023
Link: https://doi.org/10.1002/..
 
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11

Quantum computations in heavy noble-gas hydride cations: Re..:

Montes de Oca-Estévez, María Judit ; Prosmiti, Rita
Journal of Molecular Graphics and Modelling.  124 (2023)  - p. 108562 , 2023
Link: https://doi.org/10.1016/..
 
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12

Computational investigations of stable multiple-cage-occupa..:

Yanes-Rodríguez, Raquel ; Prosmiti, Rita
Physical Chemistry Chemical Physics.  25 (2023)  25 - p. 16844-16855 , 2023
Link: https://doi.org/10.1039/..
 
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13

A Benchmark Protocol for DFT Approaches and Data-Driven Mod..:

Rodríguez-Segundo, Raúl ; Arismendi-Arrieta, Daniel J. ; Prosmiti, Rita
Molecules.  27 (2022)  5 - p. 1654 , 2022
Link: https://doi.org/10.3390/..
 
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14

Modeling of Structure H Carbon Dioxide Clathrate Hydrates: ..:

Cabrera-Ramírez, Adriana ; Prosmiti, Rita
The Journal of Physical Chemistry C.  126 (2022)  35 - p. 14832-14842 , 2022
Link: https://doi.org/10.1021/..
 
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15

Quantum molecular simulations of micro-hydrated halogen ani..:

Rodríguez-Segundo, Raúl ; Gijón, Alfonso ; Prosmiti, Rita
Physical Chemistry Chemical Physics.  24 (2022)  24 - p. 14964-14974 , 2022
Link: https://doi.org/10.1039/..
 
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