Publicaciones en las que colabora con MAURICIO ALCOLEA PALAFOX (8)

2013

  1. Structure-activity relationships of the antiviral D4T and seven 4′-substituted derivatives using MP2 and DFT methods

    Structural Chemistry, Vol. 24, Núm. 3, pp. 967-980

2012

  1. Structure of the antiviral stavudine using quantum chemical methods: Complete conformational space analysis, 3D potential energy surfaces and solid state simulations

    Journal of Molecular Structure, Vol. 1028, pp. 181-195

2010

  1. Tautomerism of the natural thymidine nucleoside and the antiviral analogue D4T. Structure and influence of an aqueous environment using MP2 and DFT methods

    Physical Chemistry Chemical Physics, Vol. 12, Núm. 4, pp. 881-893

2009

  1. Simulation of the first hydration shell of nucleosides D4T and thymidine: Structures obtained using MP2 and DFT methods

    Journal of Physical Chemistry B, Vol. 113, Núm. 8, pp. 2458-2476

2002

  1. The hydration effect on the uracil frequencies: An experimental and quantum chemical study

    Journal of Molecular Structure: THEOCHEM, Vol. 585, Núm. 1-3, pp. 69-92

  2. Theoretical quantum chemical study of benzoic acid: Geometrical parameters and vibrational wavenumbers

    International Journal of Quantum Chemistry, Vol. 89, Núm. 1, pp. 1-24

2001

  1. FTIR study of five complex β-lactam molecules

    Biopolymers - Biospectroscopy Section, Vol. 62, Núm. 5, pp. 278-294

1994

  1. Dimer form of 1,3‐dimethyluracil studied by the AM1 semiempirical method

    International Journal of Quantum Chemistry, Vol. 51, Núm. 3, pp. 141-159