Simulación por ordenador y modelado mecanoestadístico de líquidos y sólidos
Universidad Autónoma de Madrid
Madrid, EspañaPublicaciones en colaboración con investigadores/as de Universidad Autónoma de Madrid (31)
2024
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Vibrational signatures of dynamic excess proton storage between primary amine and carboxylic acid groups
Journal of Chemical Physics, Vol. 160, Núm. 9
2023
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A Dynamic Proton Bond: MH+·H2O ⇌ M·H3O+ Interconversion in Loosely Coordinated Environments
Journal of Physical Chemistry Letters, Vol. 14, Núm. 5, pp. 1294-1300
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Correlated proton dynamics in hydrogen bonding networks: the benchmark case of 3-hydroxyglutaric acid
Physical Chemistry Chemical Physics, Vol. 26, Núm. 1, pp. 198-208
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Light-to-Heat Conversion of Optically Trapped Hot Brownian Particles
ACS Nano, Vol. 17, Núm. 24, pp. 24961-24971
2022
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Inclusion complexes of the macrocycle nonactin with benchmark protonated amines: aniline and serine
Physical Chemistry Chemical Physics, Vol. 24, Núm. 14, pp. 8422-8431
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Intrinsic structure perspective for MIPS interfaces in two-dimensional systems of active Brownian particles
Soft Matter, Vol. 18, Núm. 13
2021
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Infrared-Emitting Multimodal Nanostructures for Controlled In Vivo Magnetic Hyperthermia
Advanced Materials, Vol. 33, Núm. 30
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Optical trapping at high temperature
Proceedings of SPIE - The International Society for Optical Engineering
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Proton in the ring: Spectroscopy and dynamics of proton bonding in macrocycle cavities
Physical Chemistry Chemical Physics, Vol. 23, Núm. 38, pp. 21532-21543
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Temperature effects on optical trapping stability
Micromachines, Vol. 12, Núm. 8
2020
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A Calixarene Promotes Disaggregation and Sensing Performance of Carboxyphenyl Porphyrin Films
ACS Omega, Vol. 5, Núm. 12, pp. 6299-6308
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Monte Carlo simulations and perturbation theory for highly correlated fluids: The Lennard-Jones core softened potential case
Journal of Molecular Liquids, Vol. 299
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Multipodal coordination and mobility of molecular cations inside the macrocycle valinomycin
Physical chemistry chemical physics : PCCP, Vol. 22, Núm. 35, pp. 19725-19734
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Phase behaviour and dynamical features of a two-dimensional binary mixture of active/passive spherical particles
Soft Matter, Vol. 16, Núm. 5, pp. 1162-1169
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Thermodynamics of two-dimensional molecular fluids: Discrete perturbation theory and Monte Carlo simulations
Journal of Molecular Liquids, Vol. 300
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Trapping flocking particles with asymmetric obstacles
Soft Matter, Vol. 16, Núm. 20, pp. 4739-4745
2019
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Heterogeneous: Versus homogeneous crystal nucleation of hard spheres
Soft Matter, Vol. 15, Núm. 47, pp. 9625-9631
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Inelastic Collisions of O2 with He at Low Temperatures
Journal of Physical Chemistry A, Vol. 123, Núm. 40, pp. 8496-8505
2018
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Flocking particles with asymmetric obstacles: A model for isolation and sorting motile cells and unicellular organisms
IUTAM Symposium on Motile Cells in Complex Environments, MCCE 2018
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Phase boundaries, nucleation rates and speed of crystal growth of the water-to-ice transition under an electric field: A simulation study
Journal of Physics Condensed Matter, Vol. 30, Núm. 17