Publicaciones en colaboración con investigadores/as de Universidad de Extremadura (28)

1991

  1. Self-consistent-field calculation of vibrational bound states for triatomic molecules using transformed Jacobi coordinates

    Journal of Physical Chemistry, Vol. 95, Núm. 6, pp. 2292-2297

  2. Variational calculation of vibrational energies of triatomic molecules using SCF optimized modes

    International Journal of Quantum Chemistry, Vol. 40, Núm. 5, pp. 685-694

1990

  1. Monte Carlo Calculation of Hydrodynamic Properties of Cyclic Polymers in Ideal Solution

    Macromolecules, Vol. 23, Núm. 13, pp. 3357-3362

  2. Two-center matrix elements for Kratzer oscillators

    The Journal of Chemical Physics, Vol. 93, Núm. 5, pp. 3408-3412

1989

  1. Perturbative virtual SCF CI treatment for energy levels of coupled oscillator systems

    International Journal of Quantum Chemistry, Vol. 36, Núm. 1, pp. 49-60

1988

  1. Analytical expressions for vibrational matrix elements of Morse oscillators

    Physical Review A, Vol. 38, Núm. 8, pp. 4205-4212

1986

  1. About the overestimation of the basis set superposition error on interaction energy calculations for van der Waals systems

    The Journal of Chemical Physics, Vol. 84, Núm. 9, pp. 5077-5080

  2. Charge distribution analysis on Ar-H2 system

    Journal of Molecular Structure: THEOCHEM, Vol. 136, Núm. 1-2, pp. 99-110

  3. Hypervirial treatment of centrifugal distortion of 2Π energy levels

    Journal of Quantitative Spectroscopy and Radiative Transfer, Vol. 35, Núm. 1, pp. 29-37

  4. Rotational predissociation of the Ar-H2 van der Waals molecule

    Journal of Quantitative Spectroscopy and Radiative Transfer, Vol. 35, Núm. 2, pp. 127-130

1985

  1. Ab initio calculations of intermolecular potentials. The ground state of the ArH2 van der Waals molecule

    Journal of Computational Chemistry, Vol. 6, Núm. 1, pp. 39-45

  2. Calculation of the absolute infrared frequencies and intensities of a diatomic molecule or of local diatomic groups

    Computers and Chemistry, Vol. 9, Núm. 2, pp. 115-120

  3. Hypervirial calculation of perturbed-Morse-oscillator potentials for diatomic molecules

    Journal of Quantitative Spectroscopy and Radiative Transfer, Vol. 34, Núm. 3, pp. 233-242

  4. Perturbed morse oscillator in diatomic molecules: an hypervirial treatment

    Journal of Molecular Structure: THEOCHEM, Vol. 120, Núm. C, pp. 157-162

1984

  1. Comparison of theories for the translational and rotational diffusion coefficients of rod-like macromolecules. Application to short DNA fragments

    The Journal of Chemical Physics, Vol. 81, Núm. 4, pp. 2047-2052

  2. Dimensions of short, rodlike macromolecules from translational and rotational diffusion coefficients. Study of the gramicidin dimer

    Biopolymers, Vol. 23, Núm. 4, pp. 611-615

  3. Monte Carlo Study of Hydrodynamic Properties of Flexible Linear Chains: Analysis of Several Approximate Methods

    Macromolecules, Vol. 17, Núm. 12, pp. 2715-2722

1983

  1. Approximate Methods for Calculating Hydrodynamic Properties of Macromolecules in Dilute Solution. Theory and Application to Rigid Structures

    Macromolecules, Vol. 16, Núm. 7, pp. 1121-1127

1982

  1. Monte Carlo Calculation of Hydrodynamic Properties of Freely Jointed, Freely Rotating, and Real Polymethylene Chains

    Macromolecules, Vol. 15, Núm. 1, pp. 148-154

1981

  1. Hydrodynamic properties of complex, rigid, biological macromolecules: Theory and applications

    Quarterly Reviews of Biophysics, Vol. 14, Núm. 1, pp. 81-139