Publicacións (52) Publicacións nas que participase algún/ha investigador/a

2012

  1. A DFT study of the interaction between microhydrated anions and naphthalendiimides

    ChemPhysChem, Vol. 13, Núm. 2, pp. 570-577

  2. A MP2 and DFT study of the influence of complexation on the aromatic character of phosphole

    Journal of Molecular Modeling, Vol. 18, Núm. 2, pp. 765-770

  3. A QTAIM-based energy partitioning for understanding the physical origin of conformational preferences: Application to the Z effect in O=C-X-R and related units

    Journal of Computational Chemistry, Vol. 33, Núm. 32, pp. 2533-2543

  4. A computational study of anion-modulated cation-π interactions

    Journal of Physical Chemistry B, Vol. 116, Núm. 20, pp. 5860-5871

  5. A model for monomer and micellar concentrations in surfactant solutions: Application to conductivity, NMR, diffusion, and surface tension data

    Journal of Colloid and Interface Science, Vol. 370, Núm. 1, pp. 102-110

  6. Ab initio ground state phenylacetylene-argon intermolecular potential energy surface and rovibrational spectrum

    Journal of Chemical Physics, Vol. 137, Núm. 7

  7. Ab initio ground- and excited-state intermolecular potential energy surfaces for the NO-Ne and NO-Ar van der Waals complexes

    Journal of Physical Chemistry A, Vol. 116, Núm. 27, pp. 7319-7328

  8. Accurate calculation of the intensity dependence of the refractive index using polarized basis sets

    Journal of Chemical Physics, Vol. 136, Núm. 2

  9. Acrylic protective coatings modified with titanium dioxide nanoparticles: Comparative study of stability under irradiation

    Polymer Degradation and Stability, Vol. 97, Núm. 11, pp. 2136-2142

  10. Adsorption of paraquat on soil organic matter: Effect of exchangeable cations and dissolved organic carbon

    Journal of Hazardous Materials, Vol. 235-236, pp. 218-223

  11. Boosting Lewis Acid Catalysis in Water-in-Oil Metallomicroemulsions

    ChemCatChem, Vol. 4, Núm. 12, pp. 1979-1986

  12. Calixarene-based surfactants: Conformational-dependent solvation shells for the alkyl chains

    ChemPhysChem, Vol. 13, Núm. 9, pp. 2368-2376

  13. Calixarene-based surfactants: Evidence of structural reorganization upon micellization

    Langmuir, Vol. 28, Núm. 5, pp. 2404-2414

  14. Characterization of poly(2-hydroxyethyl methacrylate) (PHEMA) contact lens using the Langmuir monolayer technique

    Journal of Colloid and Interface Science, Vol. 385, Núm. 1, pp. 202-210

  15. Comparison of arsenate, chromate and molybdate binding on schwertmannite: Surface adsorption vs anion-exchange

    Journal of Colloid and Interface Science, Vol. 386, Núm. 1, pp. 338-343

  16. Directional freezing of liquid crystalline systems: From silver nanowire/PVA aqueous dispersions to highly ordered and electrically conductive macroporous scaffolds

    Journal of Materials Chemistry, Vol. 22, Núm. 18, pp. 9195-9201

  17. Effects of microhydration on the characteristics of cation-phenol complexes

    Theoretical Chemistry Accounts, Vol. 131, Núm. 11, pp. 1-13

  18. Energy transfer and thermal accommodation in ozone scattering from a perfluorinated self-assembled monolayer

    Journal of Physical Chemistry C, Vol. 116, Núm. 48, pp. 25454-25464

  19. Erratum: Tunneling and conformational flexibility play critical roles in the isomerization mechanism of vitamin D (Journal of the American Chemical Society (2012) 134 (346-354) DOI: 10.1021/ja2077075)

    Journal of the American Chemical Society

  20. Evidence of higher complexes between cucurbit[7]uril and cationic surfactants

    Chemistry - A European Journal, Vol. 18, Núm. 25, pp. 7931-7940