Publications by the researcher in collaboration with Margarita Bermejo Villanueva (10)

2003

  1. Spinodal equation of state for rutile (formula presented)

    Physical Review B - Condensed Matter and Materials Physics, Vol. 67, Núm. 6

  2. Spinodal equation of state for rutile TiO2

    Physical Review B - Condensed Matter and Materials Physics, Vol. 67, Núm. 6, pp. 641101-641108

1994

  1. Static simulations of CaF2 polymorphs

    Physical Review B, Vol. 49, Núm. 9, pp. 5858-5868

1993

  1. Quantum mechanical cluster calculations of ionic materials: the ab initio perturbed ion (version 7) program

    Computer Physics Communications, Vol. 77, Núm. 1, pp. 107-134

  2. Stability of transition-metal impurities in ionic fluorides from approximate hartree-fock cluster calculations

    Journal of Solid State Chemistry, Vol. 102, Núm. 1, pp. 226-235

1991

  1. Perturbed-Ion Atomic-Like Orbitals for Ions in Cubic Fluoroperovskites

    Radiation Effects and Defects in Solids, Vol. 119-121, Núm. 1, pp. 439-440

  2. Stability Diagrams of 3D Transition Ions in Ionic Crystals

    Radiation Effects and Defects in Solids, Vol. 119-121, Núm. 1, pp. 441-442

1989

  1. Effects of a quantum-mechanical lattice on the electronic structure and d-d spectrum of the (MnF6)4- cluster in Mn 2+:KZnF3

    The Journal of Chemical Physics, Vol. 90, Núm. 11, pp. 6409-6421

1988

  1. Electronic structure of closed-shell hexafluorides

    Journal of Molecular Structure: THEOCHEM, Vol. 166, Núm. C, pp. 235-240

1987

  1. Core projection effects in near-ab-initio valence calculations. II. Ground state geometry of octahedral chromium (I, II, III, and IV) hexafluorides

    Journal of Solid State Chemistry, Vol. 66, Núm. 2, pp. 263-282