Publications (44) Publications in which a researcher has participated

2011

  1. A DFT study of substituent effects in corannulene dimers

    Physical Chemistry Chemical Physics, Vol. 13, Núm. 47, pp. 21139-21145

  2. A MP2 and DFT study of the aromatic character of polyphosphaphospholes. Is the pyramidality the only factor to take into consideration?

    Journal of Molecular Modeling, Vol. 17, Núm. 6, pp. 1267-1272

  3. A combination of hard and soft templating for the fabrication of silica hollow microcoils with nanostructured walls

    Nanoscale Research Letters, Vol. 6, Núm. 1

  4. A computational study of the mechanism of the unimolecular elimination of α,β-unsaturated aldehydes in the gas phase

    Journal of Molecular Modeling, Vol. 17, Núm. 1, pp. 21-26

  5. Ab initio and RRKM study of the HCN/HNC elimination channels from vinyl cyanide

    Journal of Physical Chemistry A, Vol. 115, Núm. 6, pp. 979-985

  6. Additional criterion for the determination of the handedness of 2 1 helices in crystals of bile acids: Crystal structure of a tert-butylphenyl derivative of cholic acid

    Chirality, Vol. 23, Núm. 10, pp. 940-947

  7. Anion-π aromatic neutral tweezers complexes: Are they stable in polar solvents?

    Journal of Physical Chemistry A, Vol. 115, Núm. 10, pp. 2016-2025

  8. Approach to knowledge of the interaction between the constituents of contact lenses and ocular tears: Mixed monolayers of poly(methyl methacrylate) and dipalmitoyl phosphatidyl choline

    Langmuir, Vol. 27, Núm. 7, pp. 3424-3435

  9. Catalysis of the ethanolysis of N-methyl-N-nitroso-p-toluenesulfonamide by alkali metal ions

    Arkivoc, Vol. 2011, Núm. 7, pp. 272-282

  10. Characterization of perylene diimide dye self-assemblies and their use as templates for the synthesis of hybrid and supermicroporous nanotubules

    ACS Applied Materials and Interfaces, Vol. 3, Núm. 10, pp. 4133-4141

  11. Chemical dynamics study of NO scattering from a perfluorinated self-assembled monolayer

    Journal of Physical Chemistry C, Vol. 115, Núm. 48, pp. 23817-23830

  12. Computational study of the interaction of indole-like molecules with water and hydrogen sulfide

    Journal of Chemical Physics, Vol. 135, Núm. 13

  13. Conduction-electron spin resonance and spin-density fluctuations of CoS 2-xSe x (x≤0.1)

    Physical Review B - Condensed Matter and Materials Physics, Vol. 84, Núm. 13

  14. Cucurbit[7]uril: Surfactant host-guest complexes in equilibrium with micellar aggregates

    ChemPhysChem, Vol. 12, Núm. 7, pp. 1342-1350

  15. DFT and AIM study of the protonation of nitrous acid and the p K a of nitrous acidium ion

    Journal of Physical Chemistry A, Vol. 115, Núm. 44, pp. 12357-12363

  16. DFT study of the interaction between alkaline cations and molecular bowls derived from fullerene

    Journal of Physical Chemistry B, Vol. 115, Núm. 12, pp. 2774-2782

  17. Dielectric properties and magnetostriction of the collinear multiferroic spinel CdV2O4

    Physical Review B - Condensed Matter and Materials Physics, Vol. 83, Núm. 6

  18. Durability of acrylic films from commercial aqueous dispersion: Glass transition temperature and tensile behavior as indexes of photooxidative degradation

    Progress in Organic Coatings, Vol. 70, Núm. 2-3, pp. 116-121

  19. Effect of microhydration on the guanidiniumbenzene interaction

    Journal of Chemical Physics, Vol. 135, Núm. 21

  20. Equilibrium constants and protonation site for N-methylbenzenesulfonamides

    Beilstein Journal of Organic Chemistry, Vol. 7, pp. 1732-1738