Departamento
Polímeros y Materiales Avanzados: Física, Química y Teconología
Publicaciones (218) Publicaciones en las que ha participado algún/a investigador/a
2006
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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
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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
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A physically meaningful method for the comparison of potential energy functions
Journal of Computational Chemistry, Vol. 27, Núm. 2, pp. 238-252
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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
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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
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A thermodynamic approach to the fragility of glass-forming polymers
Journal of Chemical Physics, Vol. 124, Núm. 2
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Ab initio calculation of the anomalous Hall conductivity by Wannier interpolation
Physical Review B - Condensed Matter and Materials Physics, Vol. 74, Núm. 19
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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
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Activation of methane by the iron dimer cation. A theoretical study
Journal of Physical Chemistry A, Vol. 110, Núm. 45, pp. 12501-12511
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Anisotropic etching of silicon as a tool for creating injection molding tooling surfaces
Journal of Microelectromechanical Systems, Vol. 15, Núm. 6, pp. 1671-1680
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Anomalous dynamic arrest in a mixture of large and small particles
Physical Review E - Statistical, Nonlinear, and Soft Matter Physics, Vol. 74, Núm. 2
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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
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Apparent activation energy during surface evolution by step formation and flow
New Journal of Physics, Vol. 8
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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
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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
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Approximate functionals from many-body perturbation theory
Lecture Notes in Physics, Vol. 706, pp. 161-180
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Assessment of protein folding potentials with an evolutionary method
Journal of Chemical Physics, Vol. 125, Núm. 1
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Asymptotics of the dispersion interaction: Analytic benchmarks for van der Waals energy functionals
Physical Review Letters, Vol. 96, Núm. 7
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Biochromophores
Lecture Notes in Physics, Vol. 706, pp. 323-336
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Bitumen/polyethylene blends: Using m-LLDPEs to improve stability and viscoelastic properties
Rheologica Acta, Vol. 45, Núm. 5, pp. 603-610