Publicacións nas que colabora con Miguel Alvarez Blanco (70)

2012

  1. Beyond standard charge density topological analyses

    Modern Charge-Density Analysis (Springer Netherlands), pp. 303-358

2011

  1. Generalized electron number distribution functions: Real space versus orbital space descriptions

    Theoretical Chemistry Accounts, Vol. 128, Núm. 4, pp. 433-444

  2. Restoring orbital thinking from real space descriptions: Bonding in classical and non-classical transition metal carbonyls

    Physical Chemistry Chemical Physics, Vol. 13, Núm. 11, pp. 5068-5077

2010

  1. Bonding in classical and nonclassical transition metal carbonyls: The interacting quantum atoms perspective

    Journal of Chemical Theory and Computation, Vol. 6, Núm. 4, pp. 1064-1074

  2. Convergence of the multipole expansion for 1,2 Coulomb interactions: The modified multipole shifting algorithm

    Journal of Chemical Physics, Vol. 132, Núm. 19

2009

  1. A connection between domain-averaged Fermi hole orbitals and electron number distribution functions in real space

    Journal of Chemical Physics, Vol. 131, Núm. 12

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

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

  3. Steric repulsions, rotation barriers, and stereoelectronic effects: A real space perspective

    Journal of Computational Chemistry, Vol. 30, Núm. 1, pp. 98-109

  4. Using pseudopotentials within the interacting quantum atoms approach

    Journal of Physical Chemistry A, Vol. 113, Núm. 27, pp. 7963-7971

2008

  1. Buckling in wurtzite-like AlN nanostructures and crystals: Why nano can be different

    CMES - Computer Modeling in Engineering and Sciences, Vol. 24, Núm. 2-3, pp. 143-156

  2. EDF: Computing electron number probability distribution functions in real space from molecular wave functions

    Computer Physics Communications, Vol. 178, Núm. 8, pp. 621-634

  3. Electron-electron interactions between ELF basins

    Chemical Physics Letters, Vol. 454, Núm. 4-6, pp. 396-403

  4. Theoretical simulation of AlN nanocrystals

    Journal of Physical Chemistry C, Vol. 112, Núm. 17, pp. 6667-6676

2007

  1. An electron number distribution view of chemical bonds in real space

    Physical Chemistry Chemical Physics

  2. Bond paths as privileged exchange channels

    Chemistry - A European Journal, Vol. 13, Núm. 33, pp. 9362-9371

  3. Charge transfer, chemical potentials, and the nature of functional groups: Answers from quantum chemical topology

    Faraday Discussions

  4. Chemical fragments in real space: Definitions, properties, and energetic decompositions

    Journal of Computational Chemistry, Vol. 28, Núm. 1, pp. 161-184

  5. Comparison of direct and flow integration based charge density population analyses

    Journal of Physical Chemistry A, Vol. 111, Núm. 48, pp. 12146-12151

  6. Electron number probability distributions for correlated wave functions

    Journal of Chemical Physics, Vol. 126, Núm. 9

  7. Pauling resonant structures in real space through electron number probability distributions

    Journal of Physical Chemistry A, Vol. 111, Núm. 6, pp. 1084-1090