Publicaciones (218) Publicaciones en las que ha participado algún/a investigador/a

2006

  1. A TDDFT study of the excited states of DNA bases and their assemblies

    Journal of Physical Chemistry B, Vol. 110, Núm. 14, pp. 7129-7138

  2. A new approach for the two-electron cumulant in natural orbital functional theory

    International Journal of Quantum Chemistry, Vol. 106, Núm. 5, pp. 1093-1104

  3. A physically meaningful method for the comparison of potential energy functions

    Journal of Computational Chemistry, Vol. 27, Núm. 2, pp. 238-252

  4. A study of the coordination shell of aluminum(III) and magnesium(II) in model protein environments: Thermodynamics of the complex formation and metal exchange reactions

    Journal of Inorganic Biochemistry, Vol. 100, Núm. 3, pp. 374-384

  5. A study of the use of oscillatory flow to characterize isotactic and syndiotactic poly(propylene)s

    Macromolecular Chemistry and Physics, Vol. 207, Núm. 19, pp. 1781-1788

  6. A thermodynamic approach to the fragility of glass-forming polymers

    Journal of Chemical Physics, Vol. 124, Núm. 2

  7. Ab initio calculation of the anomalous Hall conductivity by Wannier interpolation

    Physical Review B - Condensed Matter and Materials Physics, Vol. 74, Núm. 19

  8. Ab initio study of the nonlinear optics of III-V semiconductors in the terahertz regime

    Physical Review B - Condensed Matter and Materials Physics, Vol. 74, Núm. 24

  9. Activation of methane by the iron dimer cation. A theoretical study

    Journal of Physical Chemistry A, Vol. 110, Núm. 45, pp. 12501-12511

  10. Anisotropic etching of silicon as a tool for creating injection molding tooling surfaces

    Journal of Microelectromechanical Systems, Vol. 15, Núm. 6, pp. 1671-1680

  11. Anomalous dynamic arrest in a mixture of large and small particles

    Physical Review E - Statistical, Nonlinear, and Soft Matter Physics, Vol. 74, Núm. 2

  12. Análisis de la eficiencia de nucleación de diversos agentes en la policaprolactona

    Revista de la Facultad de Ingenieria, Vol. 21, Núm. 3, pp. 105-119

  13. Apparent activation energy during surface evolution by step formation and flow

    New Journal of Physics, Vol. 8

  14. Application of fourier transform infrared spectroscopy in the study of interactions between PVC and plasticizers: PVC/plasticizer compatibility versus chemical structure of plasticizer

    Journal of Applied Polymer Science, Vol. 101, Núm. 3, pp. 1731-1737

  15. Application of high resolution thermogravimetry to the study of thermal stability of poly(vinyl chloride) resins

    Polymer Degradation and Stability, Vol. 91, Núm. 4, pp. 629-633

  16. Approximate functionals from many-body perturbation theory

    Lecture Notes in Physics, Vol. 706, pp. 161-180

  17. Assessment of protein folding potentials with an evolutionary method

    Journal of Chemical Physics, Vol. 125, Núm. 1

  18. Asymptotics of the dispersion interaction: Analytic benchmarks for van der Waals energy functionals

    Physical Review Letters, Vol. 96, Núm. 7

  19. Biochromophores

    Lecture Notes in Physics, Vol. 706, pp. 323-336

  20. Bitumen/polyethylene blends: Using m-LLDPEs to improve stability and viscoelastic properties

    Rheologica Acta, Vol. 45, Núm. 5, pp. 603-610