Publications in collaboration with researchers from Instituto de Química Física Rocasolano (368)

2024

  1. Photodissociation of the CH2Br radical: A theoretical study

    Journal of Chemical Physics, Vol. 160, Núm. 7

2023

  1. Estimation of bubble cavitation rates in a symmetrical Lennard-Jones mixture by NVT seeding simulations

    Journal of Chemical Physics, Vol. 158, Núm. 12

  2. Fluids meet solids

    Journal of Chemical Physics

  3. Homogeneous nucleation rate of methane hydrate formation under experimental conditions from seeding simulations

    Journal of Chemical Physics, Vol. 158, Núm. 11

  4. Polar ammoniostyryls easily converting a clickable lipophilic BODIPY in an advanced plasma membrane probe

    Journal of Materials Chemistry B, Vol. 11, Núm. 10, pp. 2108-2114

  5. Rotation of the c-Ring Promotes the Curvature Sorting of Monomeric ATP Synthases

    Advanced Science, Vol. 10, Núm. 31

  6. The water cavitation line as predicted by the TIP4P/2005 model

    Journal of Chemical Physics, Vol. 158, Núm. 12

2022

  1. A Computational-Experimental Approach to Unravel the Excited State Landscape in Heavy-Atom Free BODIPY-Related Dyes

    Molecules (Basel, Switzerland), Vol. 27, Núm. 15

  2. An optimized MNK1b aptamer, apMNKQ2, and its potential use as a therapeutic agent in breast cancer

    Molecular Therapy - Nucleic Acids, Vol. 30, pp. 553-568

  3. BINOL blocks as accessible triplet state modulators in BODIPY dyes

    Chemical communications (Cambridge, England), Vol. 58, Núm. 44, pp. 6385-6388

  4. Development of Geometry-Controlled All-Orthogonal BODIPY Trimers for Photodynamic Therapy and Phototheragnosis

    Organic Letters, Vol. 24, Núm. 20, pp. 3636-3641

  5. Freezing point depression of salt aqueous solutions using the Madrid-2019 model

    The Journal of chemical physics, Vol. 156, Núm. 13, pp. 134503

  6. Generation of multiple triplet states in an orthogonal bodipy dimer: a breakthrough spectroscopic and theoretical approach

    Physical chemistry chemical physics : PCCP, Vol. 24, Núm. 10, pp. 5929-5938

  7. Maximum in density of electrolyte solutions: Learning about ion-water interactions and testing the Madrid-2019 force field

    Journal of Chemical Physics, Vol. 156, Núm. 15

  8. Phase diagram of the NaCl-water system from computer simulations

    Journal of Chemical Physics, Vol. 156, Núm. 6

  9. Rational Design of a Thermostable 2′-Deoxyribosyltransferase for Nelarabine Production by Prediction of Disulfide Bond Engineering Sites

    International Journal of Molecular Sciences, Vol. 23, Núm. 19

  10. Structural and magnetic studies of NiFe2O4 and NiFe2O4@SiO2-Silane agent samples useful for the removal of Cu2+ ions

    Journal of Alloys and Compounds, Vol. 899

  11. Triplet-triplet sensitizing within pyrene-based COO-BODIPY: a breaking molecular platform for annihilating photon upconversion

    Physical Chemistry Chemical Physics, Vol. 24, Núm. 44, pp. 27441-27448

2021

  1. Biochemical and structural studies of two tetrameric nucleoside 2′-deoxyribosyltransferases from psychrophilic and mesophilic bacteria: Insights into cold-adaptation

    International Journal of Biological Macromolecules, Vol. 192, pp. 138-150

  2. Femtosecond XUV-IR induced photodynamics in the methyl iodide cation

    New Journal of Physics, Vol. 23, Núm. 7