Publicaciones (258) 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. A universal parameter for silicon anisotropic etching in alkaline solutions

    Proceedings of the IEEE International Conference on Micro Electro Mechanical Systems (MEMS)

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

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

  9. 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

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

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

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

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

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

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

  13. 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

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

    New Journal of Physics, Vol. 8

  15. 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

  16. 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

  17. Approximate functionals from many-body perturbation theory

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

  18. Assessment of protein folding potentials with an evolutionary method

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

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

    Physical Review Letters, Vol. 96, Núm. 7

  20. Biochromophores

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