Publicaciones en las que colabora con ANGEL MARTIN PENDAS (36)

2009

  1. Critic: a new program for the topological analysis of solid-state electron densities

    Computer Physics Communications, Vol. 180, Núm. 1, pp. 157-166

2007

  1. Topology and Properties of the Electron Density in Solids

    The Quantum Theory of Atoms in Molecules: From Solid State to DNA and Drug Design (Wiley-VCH Verlag GmbH & Co. KGaA), pp. 207-229

2004

  1. Topological properties of the electron density of solids and molecules. Recent developments in Oviedo

    Acta Crystallographica Section A: Foundations of Crystallography, Vol. 60, Núm. 5, pp. 434-437

  2. Universal Features of the Topological Bond Properties of the Electron Density

    Journal of Physical Chemistry A, Vol. 108, Núm. 14, pp. 2794-2801

2003

  1. Curvature of interatomic surfaces. I. Fundamentals

    Journal of Chemical Physics, Vol. 119, Núm. 15, pp. 7633-7642

  2. Ions in crystals: The topology of the electron density in ionic materials. 4. The danburite (CaB2Si2O8) case and the occurrence of oxide-oxide bond paths in crystals

    Journal of Physical Chemistry B, Vol. 107, Núm. 21, pp. 4912-4921

2002

  1. A classification of covalent, ionic, and metallic solids based on the electron density

    Journal of the American Chemical Society, Vol. 124, Núm. 49, pp. 14721-14723

  2. Hirshfeld surfaces as approximations to interatomic surfaces

    Journal of Chemical Physics, Vol. 117, Núm. 3, pp. 1017-1023

  3. Rigorous characterization of oxygen vacancies in ionic oxides

    Physical Review B - Condensed Matter and Materials Physics, Vol. 66, Núm. 7, pp. 751031-751036

2001

  1. Microscopic analysis of the compressibility in the spinel phase of Si3N4

    Europhysics Letters, Vol. 54, Núm. 6, pp. 760-766

  2. Polarity inversion in the electron density of BP crystal

    Physical Review B - Condensed Matter and Materials Physics, Vol. 63, Núm. 12

  3. Practical embedding for ionic materials: Crystal-adapted pseudopotentials for the MgO crystal

    Physical Review B - Condensed Matter and Materials Physics, Vol. 64, Núm. 10

  4. Topological analysis of chemical bonding in cyclophosphazenes

    Journal of Physical Chemistry A, Vol. 105, Núm. 21, pp. 5280-5291

2000

  1. Ions in crystals: The topology of the electron density in ionic materials. V. The B1-B2 phase transition in alkali halides

    Physical Review B - Condensed Matter and Materials Physics, Vol. 62, Núm. 18, pp. 12028-12039

  2. Local compressibilities in crystals

    Physical Review B - Condensed Matter and Materials Physics, Vol. 62, Núm. 21, pp. 13970-13978

1999

  1. Ionic properties of perovskites derived from topological analysis of their wave function

    Journal of Physics Condensed Matter, Vol. 11, Núm. 33, pp. 6329-6336

  2. Non-nuclear maxima of the electron density

    Physical Review Letters, Vol. 83, Núm. 10, pp. 1930-1933

  3. Strategies for determining and using ab initio interionic potentials

    Radiation Effects and Defects in Solids, Vol. 151, Núm. 1, pp. 223-228

1998

  1. Ions in crystals: The topology of the electron density in ionic materials. III. Geometry and ionic radii

    Journal of Physical Chemistry B, Vol. 102, Núm. 36, pp. 6937-6948

1997

  1. Ions in crystals: The topology of the electron density in ionic materials. I. Fundamentals

    Physical Review B - Condensed Matter and Materials Physics, Vol. 55, Núm. 7, pp. 4275-4284