Publicacións (60) Publicacións nas que participase algún/ha investigador/a

2013

  1. A computational study of the protonation of simple amines in water clusters

    Physical Chemistry Chemical Physics, Vol. 15, Núm. 41, pp. 18204-18216

  2. A high-accuracy theoretical study of the CHnP Systems n = 1-3

    Journal of Computational Chemistry, Vol. 34, Núm. 23, pp. 2020-2031

  3. A modifier that enables the easy dispersion of alkyl-coated nanoparticles in an epoxy network

    Colloid and Polymer Science, Vol. 291, Núm. 7, pp. 1677-1682

  4. Accurate treatment of two-dimensional non-separable hindered internal rotors

    Journal of Chemical Physics, Vol. 138, Núm. 13

  5. Aggregation of p-sulfonatocalixarene-based amphiphiles and supra-amphiphiles

    International Journal of Molecular Sciences, Vol. 14, Núm. 2, pp. 3140-3157

  6. Air-stable Fe@Au nanoparticles synthesized by the microemulsion's methods

    Journal of the Korean Physical Society, Vol. 62, Núm. 10, pp. 1376-1381

  7. Analysis of the performance of DFT-D, M05-2X and M06-2X functionals for studying π⋯π interactions

    Chemical Physics Letters, Vol. 557, pp. 170-175

  8. Anomeric effect in halogenated methanols: A quantum theory of atoms in molecules study

    Journal of Physical Chemistry A, Vol. 117, Núm. 7, pp. 1641-1650

  9. Bistability of Fc-PTM-Based dyads: The role of the donor strength

    Chemistry of Materials, Vol. 25, Núm. 5, pp. 808-814

  10. Catanionic gels based on cholic acid derivatives

    Langmuir, Vol. 29, Núm. 40, pp. 12342-12351

  11. Characterization of the binary mixed monolayers of α-tocopherol with phospholipids at the air-water interface

    Biochimica et Biophysica Acta - Biomembranes, Vol. 1828, Núm. 11, pp. 2410-2418

  12. Cholesterol and POPC segmental order parameters in lipid membranes: Solid state 1H-13C NMR and MD simulation studies

    Physical Chemistry Chemical Physics, Vol. 15, Núm. 6, pp. 1976-1989

  13. Collision-induced dissociation mechanisms of [Li(uracil)]+

    Physical Chemistry Chemical Physics, Vol. 15, Núm. 20, pp. 7628-7637

  14. Communication: Selection rules for tunneling splitting of vibrationally excited levels

    Journal of Chemical Physics, Vol. 139, Núm. 2

  15. Competition between surfactant micellization and complexation by cyclodextrin

    Organic and Biomolecular Chemistry, Vol. 11, Núm. 7, pp. 1093-1102

  16. Complementarity of QTAIM and ELF partitions: Deeper understanding of the anomeric effect

    Journal of Chemical Theory and Computation, Vol. 9, Núm. 11, pp. 4816-4824

  17. Cooperative assembly of discrete stacked aggregates driven by supramolecular host-guest complexation

    Journal of Organic Chemistry, Vol. 78, Núm. 18, pp. 9113-9119

  18. Correct interpretation of how tunneling proceeds at low temperatures in the proton transfer reactions involving thiotropolone: A comment

    Angewandte Chemie - International Edition, Vol. 52, Núm. 32, pp. 8204-8205

  19. Crystal structure of head-to-head dimers of cholic and deoxycholic acid derivatives with different symmetric bridges

    Steroids, Vol. 78, Núm. 2, pp. 247-254

  20. Cu(II) incorporation to schwertmannite: Effect on stability and reactivity under AMD conditions

    Geochimica et Cosmochimica Acta, Vol. 119, pp. 149-163