Publicaciones (105) Publicaciones en las que ha participado algún/a investigador/a

2006

  1. 4-Aminobenzonitrile: ab initio calculations, FTIR and Raman spectra

    Journal of Raman Spectroscopy

  2. A DFT study of the substituent induced shifts of a 5α-OH on ring A 13C chemical shifts of spirostanic sapogenins

    Journal of Molecular Structure: THEOCHEM, Vol. 769, Núm. 1-3, pp. 87-89

  3. A detailed quantum mechanical and quasiclassical trajectory study on the dynamics of the H++H2→H2+H+ exchange reaction

    Journal of Chemical Physics, Vol. 125, Núm. 9

  4. A generalized deduction of the ideal-solution model

    Journal of Chemical Education, Vol. 83, Núm. 1, pp. 145-149

  5. A potential model for methane in water describing correctly the solubility of the gas and the properties of the methane hydrate

    Journal of Chemical Physics, Vol. 125, Núm. 7

  6. Absence of superheating for ice Ih with a free surface: A new method of determining the melting point of different water models

    Molecular Physics

  7. Adaptive control of molecular alignment

    Physical Review A - Atomic, Molecular, and Optical Physics, Vol. 73, Núm. 3

  8. Adiabatic and diabatic transformations as physical resources for wave packet squeezing

    Physical Review A - Atomic, Molecular, and Optical Physics, Vol. 73, Núm. 1

  9. Adiabatic passage by light-induced potentials in polyatomic molecules

    Journal of Physical Chemistry A, Vol. 110, Núm. 4, pp. 1586-1593

  10. Adsorption of polymers on a brush: Tuning the order of the wetting phase transition

    Journal of Chemical Physics, Vol. 124, Núm. 8

  11. Analysis of the H + D2 reaction mechanism through consideration of the intrinsic reactant polarisation

    Physical Chemistry Chemical Physics, pp. 4881-4896

  12. Assessment of protein folding potentials with an evolutionary method

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

  13. Cationic prevesicle and vesicle nanoaggregates: An experimental and theoretical study

    Journal of Physical Chemistry B

  14. Collapse and revival of entanglement of two interacting qubits

    Proceedings of SPIE - The International Society for Optical Engineering

  15. Collective excitations in liquid D2 confined within the mesoscopic pores of a MCM-41 molecular sieve

    Physical Review B - Condensed Matter and Materials Physics, Vol. 73, Núm. 9

  16. Comparison of capillary electrophoresis and isoelectric focusing for analysis of casein/caseinate addition in processed cheeses

    International Dairy Journal, Vol. 16, Núm. 12, pp. 1448-1453

  17. Computer simulation of two new solid phases of water: Ice XIII and ice XIV

    Journal of Chemical Physics, Vol. 125, Núm. 11

  18. Crystal structure, magnetic and electrical properties of CaCu 3Mn4-xTixO12 (0.3 ≤ x ≤ 3.0) perovskites

    Journal of Physics Condensed Matter, Vol. 18, Núm. 29, pp. 6841-6852

  19. Cumulative reaction probabilities: A comparison between quasiclassical and quantum mechanical results

    Journal of Chemical Physics, Vol. 125, Núm. 14

  20. Dilational viscoelasticity of PEO-PPO-PEO triblock copolymer films at the air-water interface in the range of high surface pressures

    Langmuir, Vol. 22, Núm. 6, pp. 2647-2652