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Arismendi-Arrieta, Daniel J
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Online (85)
Mediatypes
Articles (Online) (45)
Bookchapter (Online) (1)
OpenAccess-fulltext (39)
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1
Machine learning force fields for molecular liquids: Ethyle..:
Magdău, Ioan-Bogdan
;
Arismendi-Arrieta, Daniel J.
;
Smith, Holly E.
...
npj Computational Materials. 9 (2023) 1 - p. , 2023
Link:
https://doi.org/10.1038/..
?
2
H2O2(s) and H2O2·2H2O(s) crystals compared with ices: DFT f..:
Arismendi-Arrieta, Daniel J.
;
Sen, Anik
;
Eriksson, Anders
...
The Journal of Chemical Physics. 159 (2023) 19 - p. , 2023
Link:
https://doi.org/10.1063/..
?
3
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/..
?
4
Finite Systems under Pressure: Assessing Volume Definition ..:
Vítek, Aleš
;
Arismendi-Arrieta, Daniel J.
;
Šarmanová, Martina
..
The Journal of Physical Chemistry A. 124 (2020) 20 - p. 4036-4047 , 2020
Link:
https://doi.org/10.1021/..
?
5
He Inclusion in Ice-like and Clathrate-like Frameworks: A B..:
Yanes-Rodríguez, Raquel
;
Arismendi-Arrieta, Daniel J.
;
Prosmiti, Rita
Journal of Chemical Information and Modeling. 60 (2020) 6 - p. 3043-3056 , 2020
Link:
https://doi.org/10.1021/..
?
6
Coarsening Kinetics of Complex Macromolecular Architectures..:
Paciolla, Mariarita
;
Arismendi-Arrieta, Daniel J.
;
Moreno, Angel J.
Polymers. 12 (2020) 3 - p. 531 , 2020
Link:
https://doi.org/10.3390/..
?
7
Deformability and solvent penetration in soft nanoparticles..:
Arismendi-Arrieta, Daniel J.
;
Moreno, Angel J.
Journal of Colloid and Interface Science. 570 (2020) - p. 212-222 , 2020
Link:
https://doi.org/10.1016/..
?
8
Assessing Intermolecular Interactions in Guest-Free Clathra..:
León-Merino, Iván
;
Rodríguez-Segundo, Raúl
;
Arismendi-Arrieta, Daniel J.
.
The Journal of Physical Chemistry A. 122 (2018) 5 - p. 1479-1487 , 2018
Link:
https://doi.org/10.1021/..
?
9
Density-functional approximations on CO2@sI clathrate hydra..:
Arismendi-Arrieta, Daniel J.
;
Valdés, Álvaro
;
Prosmiti, Rita
Journal of Physics: Conference Series. 875 (2017) - p. 112015 , 2017
Link:
https://doi.org/10.1088/..
?
10
Development of transferable water-halide potentials:
Rodríguez-Segundo, Raúl
;
Arismendi-Arrieta, Daniel J.
;
Prosmiti, Rita
Journal of Physics: Conference Series. 875 (2017) - p. 102023 , 2017
Link:
https://doi.org/10.1088/..
?
11
Developing time to frequency-domain descriptors for relaxat..:
Medina, Juan S.
;
Arismendi-Arrieta, Daniel J.
;
Alemán, Jóse V.
.
Journal of Molecular Liquids. 245 (2017) - p. 62-70 , 2017
Link:
https://doi.org/10.1016/..
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12
High Pressure Structural Transitions in Kr Clathrate-Like C..:
Arismendi-Arrieta, Daniel J.
;
Vítek, Ales
;
Prosmiti, Rita
The Journal of Physical Chemistry C. 120 (2016) 45 - p. 26093-26102 , 2016
Link:
https://doi.org/10.1021/..
?
13
i-TTM Model for Ab Initio-Based Ion–Water Interaction Poten..:
Arismendi-Arrieta, Daniel J.
;
Riera, Marc
;
Bajaj, Pushp
..
The Journal of Physical Chemistry B. 120 (2015) 8 - p. 1822-1832 , 2015
Link:
https://doi.org/10.1021/..
?
14
Quantum Dynamics of Carbon Dioxide Encapsulated in the Cage..:
Valdés, Álvaro
;
Arismendi-Arrieta, Daniel J.
;
Prosmiti, Rita
The Journal of Physical Chemistry C. 119 (2015) 8 - p. 3945-3956 , 2015
Link:
https://doi.org/10.1021/..
?
15
Thermodynamics of Water Dimer Dissociation in the Primary H..:
Wolke, Conrad T.
;
Menges, Fabian S.
;
Tötsch, Niklas
...
The Journal of Physical Chemistry A. 119 (2015) 10 - p. 1859-1866 , 2015
Link:
https://doi.org/10.1021/..
1-15