Departamentos

Publicaciones en 2024

Publications in 2024

 

110 – A critical examination of the physics behind the formation of particle-laden fluid interfaces. Current Opinion in Colloid and Interface Science 2024, Vol.74, p. —

109 – A Micromechanical Study of Interactions of Cyanate Ester Monomer with Graphene or Boron Nitride Monolayer. Materials 2024, Vol.17, Num 1, p. —

108 – Absolute control over the quantum yield of a photodissociation reaction mediated by nonadiabatic couplings. Chemical Science 2024, Vol.15, Num 37, p. 15255-15262

107 – Accuracy limit of non-polarizable four-point water models: TIP4P/2005 vs OPC. Should water models reproduce the experimental dielectric constant?. Journal of Chemical Physics 2024, Vol.161, Num 4, p. —

106 – Accurate Free Energies of Aqueous Electrolyte Solutions from Molecular Simulations with Non-polarizable Force Fields. Journal of Physical Chemistry Letters 2024, Vol.15, Num 16, p. 4477-4485

105 – All-Optical Trapping and Programmable Transport of Gold Nanorods with Simultaneous Orientation and Spinning Control. ACS Nano 2024, Vol.18, Num 40, p. 27738-27751

104 – Anomalous behaviour of transport properties in a supercooled water–glycerol mixture. Molecular Physics 2024, Vol.122, Num 21-22, p. —

103 – Aqueous dispersions of oleic acid nanodroplets for thymol encapsulation. Colloids and Surfaces A: Physicochemical and Engineering Aspects 2024, Vol.690, p. —

102 – Atomic contributions to ZnO mechanical properties at negative and positive pressures. Results in Physics 2024, Vol.60, p. —

101 – Base pairs with 5-chloroorotic acid and comparison with the natural nucleobase. Structural and spectroscopic study, and three suggested antiviral modified nucleosides. Journal of Biomolecular Structure and Dynamics 2024, Vol.42, Num 10, p. 4956-4984

100 – Capturing single-molecule properties does not ensure accurate prediction of biomolecular phase diagrams. Molecular Physics 2024, Vol.122, Num 21-22, p. —

99 – Chiral Seeded Growth of Gold Nanorods Into Fourfold Twisted Nanoparticles with Plasmonic Optical Activity. Advanced Materials 2024, p. —

98 – Chromosomal integrons are genetically and functionally isolated units of genomes. Nucleic Acids Research 2024, Vol.52, Num 20, p. 12565-12581

97 – Collective lattice excitations in the dynamic route for melting hydrodynamic two-dimensional crystals. Physical Review Research 2024, Vol.6, Num 4, p. —

96 – Collective motion of energy depot active disks. Soft Matter 2024, Vol.21, Num 6, p. 1045-1053

95 – Colloidal hard spheres: Triumphs, challenges, and mysteries. Reviews of Modern Physics 2024, Vol.96, Num 4, p. —

94 – Comparing machine learning potentials for water: Kernel-based regression and Behler-Parrinello neural networks. Journal of Chemical Physics 2024, Vol.160, Num 11, p. —

93 – Confinement enhanced viscosity vs shear thinning in lubricated ice friction. Journal of Chemical Physics 2024, p. —

92 – Crossed molecular beam experiments and theoretical simulations on the multichannel reaction of toluene with atomic oxygen. Faraday Discussions 2024, Vol.251, p. 523-549

91 – Density isobar of water and melting temperature of ice: Assessing common density functionals. Journal of Chemical Physics 2024, Vol.161, Num 13, p. —

90 – Determination of collision mechanisms at low energies using four-vector correlations. Faraday Discussions 2024, Vol.251, p. 104-124

89 – Determination of the high-pressure domain of stability of BeSiO3 and characterization of its crystal structure and properties. Dalton Transactions 2024, Vol.53, Num 46, p. 18662-18673

88 – Diffusion Wave Spectroscopy Microrheological Characterization of Gelling Agarose Solutions. Polymers 2024, Vol.16, Num 18, p. —

87 – Dilution-controlled deposition of mixtures of a synthetic polycation and a natural origin polyelectrolyte with anionic surfactants on negatively charged surfaces. Colloids and Surfaces A: Physicochemical and Engineering Aspects 2024, Vol.685, p. —

86 – Discovering dynamic laws from observations: The case of self-propelled, interacting colloids. Physical Review E 2024, Vol.109, Num 6, p. —

85 – Dissociative photoionization of acetaldehyde in the 10.2-19.5 eV VUV range. Physical Chemistry Chemical Physics 2024, Vol.26, Num 32, p. 21441-21452

84 – Dressing a Nonpolarizable Force Field for OH- in TIP4P/2005 Aqueous Solutions with Corrected Hirshfeld Charges. Journal of Physical Chemistry Letters 2024, Vol.15, Num 37, p. 9411-9418

83 – Dynamic Behavior and Substrate Interactions of the Polymyxin Resistance Determinant MCR-1 Investigated by Extended Molecular Dynamics Simulations in the Membrane Environment. ChemRxiv 2024, p. —

82 – Dynamical effects on the O(3P) + D2 reaction and its impact on the Λ-doublet population. Physical Chemistry Chemical Physics 2024, Vol.26, Num 8, p. 6752-6762

81 – Dynamics and nano-rheology of interfacial water: General discussion. Faraday Discussions 2024, p. —

80 – Effect of Lanthanide Ions and Triazole Ligands on the Molecular Properties, Spectroscopy and Pharmacological Activity. International Journal of Molecular Sciences 2024, Vol.25, Num 14, p. —

79 – Effect of substrate mismatch, orientation, and flexibility on heterogeneous ice nucleation. Journal of Chemical Physics 2024, Vol.160, Num 13, p. —

78 – Effectiveness and chemical insights: Exploring interactions between nanomicelles and monoterpenoids for head lice treatment. Pesticide Biochemistry and Physiology 2024, Vol.201, p. —

77 – Effects of swift heavy ions on metal nanoparticles embedded in silica: Using linearly polarized light to monitor the elongation kinetics. Journal of Chemical Physics 2024, Vol.161, Num 5, p. —

76 – Erratum: Principles of assembly and regulation of condensates of Polycomb repressive complex 1 through phase separation (Cell Reports (2023) 42(10), (S2211124723011488), (10.1016/j.celrep.2023.113136)). Cell Reports 2024, p. —

75 – Espectroscopía vibracional (Raman e IR) de las veladuras y de las pinturas rupestres de La Chorrera, Los Yébenes, Toledo. Geotemas (Madrid), Num 20, 2024, p. 223

74 – Estudio de nuevas metodologías docentes que faciliten la conciliación estudiantil-familiar en grados experimentales. Libro de actas del I Congreso en Innovación Docente de las Universidades Madrileñas: Madrid. Universidad Autónoma de Madrid, 3 y 4 de octubre de 2024 (UAM), 2024, p. 382-389

73 – Evidencing an elusive conical intersection in the dissociative photoionization of methyl iodide. Chemical Science 2024, Vol.15, Num 9, p. 3203-3213

72 – Evolución del meteorito de Dhofar a partir de imagen por espectroscopía Raman. Geotemas (Madrid), Num 20, 2024, p. 460

71 – Exploring the world of rhamnolipids: A critical review of their production, interfacial properties, and potential application. Current Opinion in Colloid and Interface Science 2024, Vol.69, p. —

70 – Few-femtosecond electron transfer dynamics in photoionized donor–π–acceptor molecules. Nature Chemistry 2024, Vol.16, Num 12, p. 2017-2024

69 – Formation of hollow silver nanoparticles under irradiation with ultrashort laser pulses. Nanophotonics 2024, Vol.13, Num 7, p. 1149-1157

68 – From Proteome to Potential Drugs: Integration of Subtractive Proteomics and Ensemble Docking for Drug Repurposing against Pseudomonas aeruginosa RND Superfamily Proteins. International Journal of Molecular Sciences 2024, Vol.25, Num 15, p. —

67 – From Proteome to Potential Drugs: Integration of Subtractive Proteomics and Ensemble Docking for Drug Repurposing against Pseudomonas aeruginosa RND Superfamily Proteins. International Journal of Molecular Sciences 2024, Vol.25, Num 15, p. 8027

66 – Full control of the orientation of non-symmetric molecules using weak and moderate electric fields. Physical Chemistry Chemical Physics 2024, Vol.26, Num 5, p. 4533-4540

65 – Geometrical optimization in fast photodissociation dynamics: the role of momentum. XV Conference of Young Researchers in Atomic and Molecular Physics (J2IFAM2024) 2024, p. —

64 – Impact of Early Coherences on the Control of Ultrafast Photodissociation Reactions. Journal of Physical Chemistry Letters 2024, Vol.15, Num 5, p. 1442-1448

63 – Impact of sulfate salts on water structure: insights from molecular dynamics. Molecular Physics 2024, Vol.122, Num 21-22, p. —

62 – In Memoriam Helmut Cölfen (1965-2023). Revista española de física 2024, Vol.38, Num 2, p. 57-58

61 – Inactivation of Staphylococcus epidermidis in a Cotton Gauze with Supercritical CO2 Modified with Essential Oils. Processes 2024, Vol.12, Num 10, p. —

60 – Ionic Strength Effect in the Equilibrium and Rheological Behavior of an Amphiphilic Triblock Copolymer at the Air/Solution Interface. Colloids and Interfaces 2024, Vol.8, Num 2, p. —

59 – Is it possible to overheat ice? The activated melting of TIP4P/Ice at solid–vapour coexistence.. Molecular Physics 2024, Vol.122, Num 21-22, p. —

58 – Isothermal compressibility and water self-diffusion coefficient in supercooled salt aqueous solutions using the Madrid-2019 model. Molecular Physics 2024, Vol.122, Num 21-22, p. —

57 – Jumping Dynamics of Cyanomethyl Radicals on Corrugated Graphene/Ru(0001) Substrates. Journal of Physical Chemistry C 2024, Vol.128, Num 50, p. 21408-21414

56 – Laser-Induced Periodic Surface Structures in Polymers with Tailored Laser Fields. Physica Status Solidi (A) Applications and Materials Science 2024, Vol.221, Num 15, p. —

55 – Madrid-2019 force field: An extension to divalent cations Sr2+ and Ba2+. Journal of Chemical Physics 2024, p. —

54 – Molecular properties of a triazole–Ce(III) complex with antioxidant activity: structure, spectroscopy, and relationships with related derivatives. Influence of the ligands in the complex. Frontiers in Chemistry 2024, Vol.12, p. —

53 – Multiscale modelling of active hydrogel elasticity driven by living polymers: softening by bacterial motor protein FtsZ. Soft Matter 2024, Vol.21, Num 4, p. 670-686

52 – Nanoplatforms for Magnetic-Photo-Heating of Thermo-Resistant Tumor Cells: Singular Synergic Therapeutic Effects at Mild Temperature. Small 2024, Vol.20, Num 51, p. —

51 – New Full-Dimensional Reactive Potential Energy Surface for the H4 System. Journal of Chemical Theory and Computation 2024, Vol.20, Num 5, p. 1829-1837

50 – Non-equilibrium states in polyelectrolyte-surfactant systems at fluid interfaces: A critical review. Current Opinion in Colloid and Interface Science 2024, Vol.71, p. —

49 – Nonlinear charge and energy transport in anharmonic quasi-two-dimensional systems. Physical Review E 2024, Vol.109, Num 2, p. —

48 – OH as a probe of the warm-water cycle in planet-forming disks. Nature Astronomy 2024, Vol.8, Num 5, p. 577-586

47 – On the compatibility of the Madrid-2019 force field for electrolytes with the TIP4P/Ice water model. Journal of Chemical Physics 2024, Vol.161, Num 22, p. —

46 – On the contributions of Luis F. Rull and José Luis F. Abascal to the development of the school of statistical mechanics in Spain. Molecular Physics 2024, p. —

45 – Optical dark-field spectroscopy of single plasmonic nanoparticles for molecular biosciences. Nanoscale 2024, Vol.16, Num 41, p. 19192-19206

44 – Optoelectronic properties of electron-acceptor molecules adsorbed on graphene/silicon carbide interfaces. Communications Materials 2024, Vol.5, Num 1, p. —

43 – Orientation-resolved attosecond photoionization delays in the N2 O molecule. Physical Review Research 2024, Vol.6, Num 3, p. —

42 – Perspective: Atomistic simulations of water and aqueous systems with machine learning potentials. Journal of Chemical Physics 2024, Vol.160, Num 17, p. —

41 – Phase diagram of NaCl–water by computer simulations: performance of non-polarizable force-fields. Molecular Physics 2024, Vol.122, Num 21-22, p. —

40 – Photodissociation of the CH2Br radical: A theoretical study. Journal of Chemical Physics 2024, Vol.160, Num 7, p. —

39 – Photodissociation of the CH2Cl radical: A high-level ab initio study. Journal of Chemical Physics 2024, Vol.161, Num 23, p. —

38 – Pickering Emulsions in Catalytic Processes. ChemCatChem 2024, Vol.16, Num 20, p. —

37 – Predictions of the interfacial free energy along the coexistence line from single-state calculations. Journal of Chemical Physics 2024, Vol.161, Num 20, p. —

36 – Protocols for x-ray transient grating pump/optical probe experiments at x-ray free electron lasers. Journal of Physics B: Atomic, Molecular and Optical Physics 2024, Vol.57, Num 18, p. —

35 – Quantum stereodynamics of cold molecular collisions. Chemical Communications 2024, Vol.60, Num 10, p. 1239-1256

34 – Rate coefficients for the O + H2 and O + D2 reactions: how well ring polymer molecular dynamics accounts for tunelling. Physical Chemistry Chemical Physics 2024, Vol.26, Num 31, p. 20947-20961

33 – Re-entrant percolation in active Brownian hard disks. Soft Matter 2024, Vol.20, Num 37, p. 7484-7492

32 – Red blood cell flickering activity locally controlled by holographic optical tweezers. iScience 2024, Vol.27, Num 6, p. —

31 – Revisiting the Role of Seed Size for the Synthesis of Highly Uniform Sub-10 nm Length Gold Nanorods. Chemistry of Materials 2024, Vol.36, Num 4, p. 1982-1997

30 – Roles of Polymer Concentration and Ionic Strength in the Deposition of Chitosan of Fungal Origin onto Negatively Charged Surfaces. Biomimetics 2024, Vol.9, Num 9, p. —

29 – Seed-Mediated Growth and Advanced Characterization of Chiral Gold Nanorods. Advanced Materials 2024, Vol.36, Num 47, p. —

28 – Self-assembly of active bifunctional Brownian particles. Soft Matter 2024, Vol.21, Num 1, p. 45-54

27 – Self-Organized States from Solutions of Active Ring Polymers in Bulk and under Confinement. Journal of Chemical Theory and Computation 2024, Vol.20, Num 4, p. 1636-1645

26 – Semiquantum versus quantum methods for grazing-incidence fast-atom diffraction: Influence of the wave-packet size. Physical Review A 2024, Vol.109, Num 4, p. —

25 – Single-Molecule Conductance of Neutral Closed-Shell and Open-Shell Diradical Indenofluorenes. Journal of the American Chemical Society 2024, Vol.146, Num 43, p. 29977-29986

24 – Solubility of CO2 in salty water: adsorption, interfacial tension and salting out effect. Molecular Physics 2024, Vol.122, Num 21-22, p. —

23 – Solvent channels and proton transfer pathways in peroxidase catalysis. ChemRxiv 2024, p. —

22 – Statistical mechanics of crystal nuclei of hard spheres. Journal of Chemical Physics 2024, Vol.161, Num 18, p. —

21 – Stereodynamical control of cold HD + D2 collisions. Physical Chemistry Chemical Physics 2024, Vol.26, Num 26, p. 18368-18381

20 – Structural changes in layers of lipid mixtures at low surface tensions. Chemistry and physics of lipids 2024, Vol.258, p. 105365

19 – Structural Effects on the Energy Disposal and Atomic Photofragment Alignment for the Photodissociation of Alkyl Iodides at Excitation Wavelengths of 254 and 268 nm. Journal of Physical Chemistry A 2024, Vol.128, Num 39, p. 8312-8321

18 – Tailoring single-molecule conductance with structured graphene electrodes. Applied Surface Science 2024, Vol.646, p. —

17 – Tangentially active polymers in cylindrical channels. SciPost Physics 2024, Vol.17, Num 4, p. —

16 – The curious case of proton migration under pressure in the malonic acid and 4,40-bipyridine cocrystal. IUCrJ 2024, Vol.11, Num Pt 2, p. 168-181

15 – The F + HD (v = 0, 1; j = 1) reaction: angular momentum correlations in the low (<1 meV) collision energy regime. Physical Chemistry Chemical Physics 2024, Vol.27, Num 1, p. 376-387

14 – The temperature of maximum in density of aqueous solutions of nitrate and ammonium salts: Testing the Madrid-2019 force field. Journal of Chemical Physics 2024, Vol.161, Num 4, p. —

13 – Thermodynamics of solids including anharmonicity through quasiparticle theory. npj Computational Materials 2024, Vol.10, Num 1, p. —

12 – Three-phase equilibria of hydrates from computer simulation. I. Finite-size effects in the methane hydrate. The Journal of chemical physics 2024, Vol.160, Num 16, p. —

11 – Three-phase equilibria of hydrates from computer simulation. II. Finite-size effects in the carbon dioxide hydrate. The Journal of chemical physics 2024, Vol.160, Num 16, p. —

10 – Three-phase equilibria of hydrates from computer simulation. III. Effect of dispersive interactions in the methane and carbon dioxide hydrates. The Journal of chemical physics 2024, Vol.160, Num 16, p. —

9 – Torsion Effects Beyond the δ Bond and the Role of π Metal-Ligand Interactions. Advanced Science 2024, Vol.11, Num 25, p. —

8 – Two-qubit quantum gates with minimal pulse sequences. Physical Review A 2024, Vol.109, Num 5, p. —

7 – Unveiling Novel Urease Inhibitors for Helicobacter pylori: A Multi-Methodological Approach from Virtual Screening and ADME to Molecular Dynamics Simulations. International journal of molecular sciences 2024, Vol.25, Num 4, p. —

6 – Unveiling the Reaction Mechanism of the N(2D) + Pyridine Reaction: Ring-Contraction versus 7-Membered-Ring Formation Channels. Journal of Physical Chemistry A 2024, Vol.128, Num 34, p. 7177-7194

5 – Valorization of geological heritage through a georoute of the ornamental rocks in the Faculty of Chemical Science at UCM. XX Congreso Internacional sobre Patrimonio Geológico y Minero. XXIV Sesión Científica de la SEDPGYM 2024, p. —

4 – Variance sum rule for entropy production. Science 2024, Vol.383, Num 6686, p. 971-976, p. 971-976

3 – Variational umbrella seeding for calculating nucleation barriers. Journal of Chemical Physics 2024, Vol.160, Num 17, p. —

2 – Vibrational signatures of dynamic excess proton storage between primary amine and carboxylic acid groups. Journal of Chemical Physics 2024, Vol.160, Num 9, p. —

1 – Where are the Excess Electrons in Subvalent Compounds? The Case of Ag7Pt2O7. Inorganic Chemistry 2024, Vol.63, Num 13, p. 5897-5907