Publicaciones en 2025
Publications in 2025
104 – A Chemical Bonding Interpretation of Unusual Compressibility Trends in Hydrated Magnesium Sulfates. Inorganic Chemistry 2025, Vol. 64, Num. 55, p. —
103 – A general formalism to describe the stereodynamics of bond axis orientation in the scattering of a linear molecule with an atom. Journal of Chemical Physics 2025, Vol.162, Num. 15, p. —
102 – A new interaction potential for Cl−, Li+, Na+, and Ca+2 in methanol solutions using the scaled charges concept. Journal of Chemical Physics 2025, Vol.162, Num. 7, p. —
101 – Acidifying the Madrid-2019 force field: A rigid model for H3O+ with scaled charges. The Journal of chemical physics 2025, Vol.162, Num. 17, p. —
100 – Acoustic Rayleigh Wave Turbulence in Soft Viscoelastic Matter. Advanced Science 2025, Vol.12, Num. 15, p. —
99 – Active polymer behavior in two dimensions: A comparative analysis of tangential and push-pull models. Journal of Chemical Physics 2025, Vol.162, Num. 11, p. —
98 – Adsorption and Bulk Assembly of Quaternized Hydroxyethylcellulose–Anionic Surfactant Complexes on Negatively Charged Substrates. Polymers 2025, Vol.17, Num. 2, p. —
97 – Advances in unveiling water’s molecular mysteries. Journal of Chemical Physics 2025, , p. —
96 – Atropisomerism of diflunisal unveiled by rotational spectroscopy and quantum chemical calculations. Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy 2025, Vol.327, p. —
95 – Autodissemination of insecticides applied to agricultural pests: Spodoptera frugiperda's role in generating toxicity on its offspring. Crop Protection 2025, Vol.194, p. —
94 – Benchmarking residue-resolution protein coarse-grained models for simulations of biomolecular condensates. PLoS Computational Biology 2025, Vol.21, Num. 1, p. —
93 – Bio-Based Interpolyelectrolyte Complexes for the Stabilization of Pickering-like Emulsions. Colloids and Interfaces 2025, Vol.9, Num. 1, p. —
92 – Biphasic Electron Transfer Arising from Two Non-Interacting Donating States Unambiguously Revealed in C343-Sensitized Mesoporous SnO2 by Combining Two Complementary Time-Resolved Spectroscopy Techniques. Journal of Physical Chemistry C 2025, Vol.129, Num. 24, p. 11004-11011
91 – Bottom-up wet-chemical synthesis of nanometals assisted by ultrafast irradiation. International Conference on Metamaterials, Photonic Crystals and Plasmonics 2025, , p. —
90 – Capturing Ring Opening in Photoexcited Enolic Acetylacetone upon Hydrogen Bond Dissociation by Ultrafast Electron Diffraction. Journal of Physical Chemistry Letters 2025, Vol.16, Num. 20, p. 5068-5075
89 – Catalysis With Deep Eutectic Solvents: Challenges and Opportunities. ChemCatChem 2025, Vol.17, Num. 11, p. —
88 – Characterisation of plastic-based sanitary personal protective equipment following supercritical CO₂ sterilisation: A reuse strategy. Journal of CO2 Utilization 2025, Vol.92, p. —
87 – Charged mutations in the FUS low-complexity domain modulate condensate aging kinetics. Cell Reports Physical Science 2025, Vol.6, Num. 9, p. —
86 – Charged peptides enriched in aromatic residues decelerate condensate ageing driven by cross-β-sheet formation. Nature Communications 2025, Vol.16, Num. 1, p. —
85 – Chemical Tuning of the Electronic Structure in Diruthenium Compounds. Journal of Physical Chemistry Letters 2025, Vol.16, p. 10000-10008
84 – Chemically Informed Coarse-Graining of Electrostatic Forces in Charge-Rich Biomolecular Condensates. ACS Central Science 2025, Vol.11, Num. 2, p. 302-321
83 – Coil-to-globule collapse of active polymers: a Rouse perspective. Molecular Physics 2025, Vol.123, Num. 7-8, p. —
82 – Cold collisions of highly vibrationally excited and aligned D2 with Ne. Journal of Chemical Physics 2025, Vol.162, Num. 16, p. —
81 – Colloidal gold-palladium-platinum alloy nanospheres with tunable compositions and defined numbers of atoms. Nanoscale 2025, Vol.17, Num. 14, p. 8577-8587
80 – Colloidal Model for Investigating Optimal Efficiency in Weakly Coupled Ratchet Motors. Physical review letters 2025, Vol.135, Num. 2, p. 028301
79 – Combining Optical Control and Geometrical Optimization for Efficient Control of Competing Molecular Photoinduced Processes Far from the Ground State. Journal of Chemical Theory and Computation 2025, Vol.21, Num. 13, p. 6315-6324
78 – Comparative Data Analysis of Virtual Screening Methodologies for Predicting Urease Inhibitory Activity. ACS Omega 2025, Vol.10, Num. 42, p. 49641-49658
77 – Condensation vs cavitation in water: A simulation study. Journal of Chemical Physics 2025, Vol.163, Num. 4, p. —
76 – Decoding phase separation of prion-like domains through data-driven scaling laws. eLife 2025, Vol.13, p. —
75 – Defect identification in monolayer MoTe2 through tunneling tip-induced charging and theoretical analysis. Nanoscale Advances 2025, Vol.7, Num. 18, p. 5637-5645
74 – Dissociation Line and Driving Force for Nucleation of the Multiple Occupied Hydrogen Hydrate from Computer Simulation. Energy and Fuels 2025, Vol.39, Num. 31, p. 15184-15197
73 – Dynamic Behavior and Substrate Interactions of the Polymyxin Resistance Determinant MCR-1 Investigated by Molecular Dynamics Simulations in the Membrane Environment. Journal of Chemical Information and Modeling 2025, Vol.65, Num. 15, p. 8322-8334
72 – Dynamically Enhanced Two-Photon Spectroscopy. Physical Review Letters 2025, Vol.134, Num. 16, p. —
71 – Dynamics and rupture of doped motility induced phase separation. Soft Matter 2025, Vol.21, Num. 27, p. 5413-5422, p. 5413-5422
70 – Emulsions in Pest Control. Emulsions: From Single Interfaces to Applications (CRC Press), 2025, p. 358-383
69 – Emulsions: From Single Interfaces to Applications. CRC Press, 2025, p. 1-443
68 – Energy and electrostatic forces between charged colloidal particles in aqueous salt solutions. Results from solving the nonlinear poisson-boltzmann equation approach. Chemical Engineering Science 2025, Vol.316, p. —
67 – Entanglement transfer in a composite electron-ion-photon system. Reports on Progress in Physics 2025, Vol.88, Num. 8, p. —
66 – Erratum: Publisher's Note: "Vibrational signatures of dynamic excess proton storage between primary amine and carboxylic acid groups" [J. Chem. Phys. 160, 094311 (2024) (The Journal of chemical physics (2024) 160 9 PII: 129901 DOI: 10.1063/5.0192331.). The Journal of chemical physics 2025, , p. —
65 – Estimating the infrared band strengths of amorphous interstellar ice analogues using density functional theory. Astronomy and Astrophysics 2025, Vol.701, p. —
64 – Experimental Methods for Emulsion Production. Emulsions: From Single Interfaces to Applications (CRC Press), 2025, , p. 175-197
63 – Extending the Madrid-2019 force field to the perchlorate anion: Role of charge distribution and validation with experiments on Mars-relevant aqueous solutions. Journal of Molecular Liquids 2025, Vol.435, p. —
62 – Foreword. Emulsions: From Single Interfaces to Applications 2025, , p. —
61 – From polyanions to infinite chains: chemical bonding evolution in AX3 polyhalides under pressure. Journal of Materials Chemistry C 2025, , p. —
60 – Fundamentals of Liquid/Fluid Interfaces. Emulsions: From Single Interfaces to Applications (CRC Press), 2025, , p. 1-9
59 – Heterogeneous ice nucleation on model substrates. Journal of Chemical Physics 2025, Vol.163, Num. 15, p. —
58 – Homogeneous nucleation rate of carbon dioxide hydrate formation under experimental condition from Seeding simulations. Journal of Chemical Physics 2025, Vol.162, Num. 13, p. —
57 – How important is the dielectric constant in water modeling? Evaluation of the performance of the TIP4P/ɛ force field and its compatibility with the Joung-Cheatham NaCl model. Journal of Chemical Physics 2025, Vol.163, Num. 5, p. —
56 – Hydrogen bond-driven interactions between chitosan and biobased surfactants: A study of bulk behavior and surface adsorption. Journal of Molecular Liquids 2025, Vol.425, p. —
55 – Hydrogen cyanide and hydrocarbons mix on Titan. Proceedings of the National Academy of Sciences of the United States of America 2025, Vol.122, Num. 30, p. —
54 – Imaging the photodissociation dynamics of vibrationless and vibrationally excited CH3S radicals. Journal of Chemical Physics 2025, Vol.163, Num. 4, p. —
53 – Impact of synthesis methods and coordination agents on the structure, morphology, and luminescent efficiency of triple-doped Nd3+, Yb3+ and Tm3+ yttrium orthovanadate. Ceramics International 2025, Vol.51, Num. 13p. 18073-18085
52 – Integrative Computational Approaches for TRPV1 Ion Channel Inhibitor Discovery: An Integrated Machine Learning, Drug Repurposing and Molecular Simulation Approach. Journal of Chemical Information and Modeling 2025, , p. —
51 – Interfacial dilational rheology of chitosan-silica nanocomposite films at the aqueous dispersion/air interface. Journal of Molecular Liquids 2025, Vol.425, p. —
50 – Intramolecular proton bonding in aliphatic dicarboxylate anions: dynamic conformational landscapes and spectral signatures. Physical Chemistry Chemical Physics 2025, Vol.27, Num. 22, p. 11725-11736
49 – Label-Free Characterization of Lipid Interfaces Using Plasmonic Gold Nanorods as Optically Active Nanosensors. Advanced Optical Materials 2025, , p. —
48 – Langmuir and Langmuir–Blodgett films for the evaluation of the interaction of colloidal particles with lung surfactant layers. Langmuir-Blodgett Films: Fundamentals to Applications (Elsevier), 2025, , p. 311-343
47 – Large scale simulations of a detailed molecular model of seawater: Ionic conductivity and diffusion coefficients of CO2. Journal of Chemical Physics 2025, Vol.163, Num. 3, p. —
46 – Lipid nanoparticles as nano-Trojan-horses for siRNA delivery and gene-knockdown. Journal of Colloid and Interface Science 2025, Vol.679, p. 975-987
45 – Long-term memory in lipid assemblies: Rate-independent hysteresis in the ripple-to-liquid-disordered transition of sphingomyelin bilayers. Journal of Chemical Physics 2025, Vol.162, Num. 13, p. —
44 – Magnetic nanosheets: from iron oxide nanocubes to polydopamine embedded 2D clusters and their multi-purpose properties. Nanoscale Horizons 2025, Vol.10, Num. 6, p. 1140-1158
43 – Mechanical adaptivity of red blood cell flickering to extrinsic membrane stiffening by the solid-like biosurfactant β-Aescin. Biophysical Journal 2025, Vol.124, Num. 9, p. 1478-1495
42 – Mechano-dependent sorbitol accumulation supports biomolecular condensate. Cell 2025, Vol.188, Num. 2, p. 447-464
41 – Micronization of ciprofloxacin by the Supercritical Antisolvent (SAS) Technique. Journal of Supercritical Fluids 2025, Vol.215, p. —
40 – Non-adiabatic photodissociation dynamics of vinyl iodide from nσ* and nπ* transitions. Physical Chemistry Chemical Physics 2025, Vol.27, Num. 16, p. 8354-8367
39 – Nucleosome spacing can fine-tune higher-order chromatin assembly. Nature Communications 2025, Vol.16, Num. 1, p. —
38 – Numerical methods for unraveling inter-particle potentials in colloidal suspensions: A comparative study for two-dimensional suspensions. Journal of Chemical Physics 2025, Vol.162, Num. 7, p. —
37 – On the growth rate of ices: Effect of pressure and ice phase. Journal of Chemical Physics 2025, Vol.162, Num. 19, p. —
36 – Oxidation of Silicon Carbide with Atomic Oxygen through the Passive-to-Active Transition. Journal of Physical Chemistry C 2025, Vol.129, Num. 6, p. 2928-2943
35 – Particle vs. Surfactant-Stabilized Emulsions. Emulsions: From Single Interfaces to Applications (CRC Press), 2025, , p. 243-262
34 – Particle-Laden Interfaces and Their Role in the Stabilization of Emulsions. Emulsions: From Single Interfaces to Applications (CRC Press), 2025, , p. 72-108
33 – Phase diagrams of therapeutic deep eutectic solvents (THEDES) under CO2 partial pressure. Journal of Molecular Liquids 2025, Vol.435, p. —
32 – Phase transitions of untilted fatty-acid Langmuir monolayers during isobaric heating and cooling: Interfacial rheology results. Physical review. E 2025, Vol.112, Num. 2-2, p. 025503
31 – Predicting Saturation Concentrations of Phase-Separating Proteins via Thermodynamic Integration. Journal of chemical theory and computation 2025, Vol.21, Num. 19, p. 9919-9934
30 – Prediction of One-Dimensional Metallicity and π-Band Superconductivity in Rhodizonate Radical Pancakes. Angewandte Chemie - International Edition 2025, , p. —
29 – Preparing Superposition States to Modify the Spectra and to Achieve Complete Selectivity in Photodissociation Reactions. Journal of Chemical Theory and Computation 2025, Vol.21, Num. 15, p. 7267-7278
28 – Pulsed Laser Synthesis of Carbon Nanostructures from Organic Molecular Liquids: Structure, Kinetics and Photophysical Properties. Advanced Science 2025, Vol.12, Num. 37, p. —
27 – Resilience of Fano Resonances in Gold-Silver Nanostructures under Laser-Induced Morphological Transformations. Journal of Physical Chemistry C 2025, Vol.129, Num. 9, p. 4530-4537
26 – Sedimentation and structure of squirmer suspensions under gravity. Soft Matter 2025, Vol.21, Num. 11, p. 2010-2025
25 – Selective Tracking of Charge Carrier Dynamics in CuInS2 Quantum Dots. ACS nano 2025, Vol.19, Num. 24, p. 21950-21961
24 – Shear and Bulk Viscosities of Water up to 1.6 GPa and Anomaly in the Structural Relaxation Time. Physical Review Letters 2025, Vol.134, Num. 13, p. —
23 – Solid-Liquid Interfacial Free Energy from Computer Simulations: Challenges and Recent Advances. Chemical Reviews 2025, Vol.125, Num. 10, p. 5003-5053
22 – Solvent Channels and Electric Fields Guide Proton Delivery to the Active Site of Heme Peroxidases. Angewandte Chemie International Edition 2025, , p. —
21 – Solving Static and Dynamic Disorder in Cu4TiTe4: Crystal Structure and Thermodynamic Properties. Inorganic Chemistry 2025, Vol.64, Num. 7, p. 3223-3234
20 – Stabilization of gels and emulsions in the ternary water/eugenol/poloxamer 407-system: Physicochemical characterization and potential application as encapsulation platforms. Colloids and Surfaces A: Physicochemical and Engineering Aspects 2025, Vol.704, p. —
19 – Stereodynamics of cold HD and D2 collisions with He. Journal of Chemical Physics 2025, Vol.162, Num. 10, p. —
18 – Sterilisation and virus sars-cov-2 inactivation in personal protective equipment with supercritical co2. Journal of Industrial and Engineering Chemistry 2025, Vol.148, p. 821-829
17 – Structural molecular details of the endocytic adaptor protein CALM upon binding with phosphatidylinositol 4,5-bisphosphate-containing model membranes. Communications Chemistry 2025, Vol.8, Num. 1, p. —
16 – Structure and Dynamics of the Magnetite(001)/Water Interface from Molecular Dynamics Simulations Based on a Neural Network Potential. Journal of Chemical Theory and Computation 2025, Vol.21, Num. 4, p. 1951-1960
15 – Targeting ELOVL6 to disrupt c-MYC driven lipid metabolism in pancreatic cancer enhances chemosensitivity. Nature Communications 2025, Vol.16, Num. 1, p. —
14 – The carnivorous plant Genlisea harnesses active particle dynamics to prey on microfauna. Proceedings of the National Academy of Sciences of the United States of America 2025, Vol.122, Num. 1, p. —
13 – The effect of nonlinearity on the efficiency of a thermal rectifier in the form of a junction of two chains. European Physical Journal: Special Topics 2025, , p. —
12 – The Effect of Sulphur Atom on the Structure of Biomolecule 2-Thiocytosine in the Gas-Phase, Solid-State, and Hydrated Forms and in DNA–DNA Microhelices as Compared to Canonical Ones. Molecules 2025, Vol.30, Num. 3, p. —
11 – The molecular phase diagram of carbon dioxide by molecular simulations of the TraPPE model. Journal of Chemical Physics 2025, Vol.163, Num. 6, p. —
10 – The Spectroscopic Characterization and Photophysical Properties of a Hydrated Lanthanum Ion Complex with a Triazole Ligand by Several DFT Methods. Molecules 2025, Vol.30, Num. 16, p. —
9 – Thermodynamic and spectroscopic study of solutions of therapeutic deep eutectic solvents (THEDES) in supercritical CO2. Journal of Molecular Liquids 2025, Vol.423, p. —
8 – Three-Phase Equilibria of CO2 Hydrate from Computer Simulation in the Presence of NaCl. Energy and Fuels 2025, Vol.39, Num. 11, p. 5522-5533
7 – TIP4P2005Ice : Simulating water with two molecular states. Journal of Chemical Physics 2025, Vol.162, Num. 1, p. —
6 – Tunable Doping and Optoelectronic Modulation in Graphene-Covered 4H-SiC Surfaces. Journal of Physical Chemistry C 2025, Vol.129, Num. 8, p. 4155-4164
5 – Ultrafast Structural Reorganization and Charge Dynamics in a Photoionized Donor-Acceptor Biphenyl Molecule. ULTRAFAST SCIENCE 2025, Vol.5, p. —
4 – Understanding Interfacial Ice Premelting: Structure, Adhesion, and Nucleation. Journal of Physical Chemistry C 2025, Vol.129, Num. 9, p. 4614-4631
3 – Unsupervised identification of crystal defects from atomistic potential descriptors. npj Computational Materials 2025, Vol.11, Num. 1, p. —
2 – Vacuum ultraviolet photoionization and dissociative photoionization of acetyl (CH3CO) and vinoxy (CH2CHO) radicals. Journal of Chemical Physics 2025, Vol.162, Num. 17, p. —
1 – Valorando lo invisible para conservar lo irremplazable: geoquímica de la roca ornamental de la Facultad de Ciencias Químicas de la Universidad Complutense. II Jornadas de Investigadores Júnior en Patrimonio 2025, p. —