Publicaciones en las que colabora con Miquel Solà (32)

2023

  1. Aromaticity: Quo Vadis

    Chemical Science, Vol. 14, Núm. 21, pp. 5569-5576

2021

  1. Fast and Simple Evaluation of the Catalysis and Selectivity Induced by External Electric Fields

    ACS Catalysis, Vol. 11, Núm. 23, pp. 14467-14479

2019

  1. Nine questions on energy decomposition analysis

    Journal of Computational Chemistry, Vol. 40, Núm. 26, pp. 2248-2283

  2. The Coulomb Hole of the Ne Atom

    ChemistryOpen, Vol. 8, Núm. 4, pp. 411-417

2018

  1. Electron-Pair Distribution in Chemical Bond Formation

    Journal of Physical Chemistry A, Vol. 122, Núm. 7, pp. 1916-1923

  2. Mechanism of the Selective Fe-Catalyzed Arene Carbon-Hydrogen Bond Functionalization

    ACS Catalysis, Vol. 8, Núm. 5, pp. 4313-4322

  3. Metal Cluster Electrides: A New Type of Molecular Electride with Delocalised Polyattractor Character

    Chemistry - A European Journal, Vol. 24, Núm. 39, pp. 9853-9859

  4. Quantum mechanics/molecular mechanics studies on the relative reactivities of compound I and II in cytochrome p450 enzymes

    International Journal of Molecular Sciences, Vol. 19, Núm. 7

2016

  1. Bonding description of the Harpoon mechanism

    Molecular Physics, Vol. 114, Núm. 7-8, pp. 1345-1355

2014

  1. New approximation to the third-order density. Application to the calculation of correlated multicenter indices

    Journal of Chemical Theory and Computation, Vol. 10, Núm. 8, pp. 3055-3065

2013

  1. N-tetradentate spanamine derivatives and their MnII-complexes as catalysts for epoxidation of alkenes

    European Journal of Inorganic Chemistry, pp. 1213-1224

2012

  1. On the reliability of the maximum hardness and minimum polarizability principles in nontotally symmetric vibrations

    AIP Conference Proceedings

2010

  1. Reaction mechanisms for graphene and carbon nanotube fluorination

    Journal of Physical Chemistry C, Vol. 114, Núm. 8, pp. 3340-3345

2009

  1. Local aromaticity of pristine and fluorinated carbon nanotubes

    Journal of Nanoscience and Nanotechnology

2008

  1. The hardness Kernel as the basis for global and local reactivity indices

    Journal of Computational Chemistry, Vol. 29, Núm. 7, pp. 1064-1072

2007

  1. Chapter 3 The breakdown of the maximum hardness and minimum polarizability principles for nontotally symmetric vibrations

    Theoretical and Computational Chemistry, Vol. 19, pp. 31-45

  2. New solids based on B12N12 fullerenes

    Journal of Physical Chemistry C, Vol. 111, Núm. 36, pp. 13354-13360

  3. On the quality of the hardness kernel and the Fukui function to evaluate the global hardness

    Journal of Computational Chemistry, Vol. 28, Núm. 2, pp. 574-583

2006

  1. Gas-phase structures, rotational barriers, and conformational properties of hydroxyl and mercapto derivatives of cyclohexa-2,5-dienone and cyclohexa-2,5-dienthione

    Journal of Physical Chemistry A, Vol. 110, Núm. 28, pp. 8901-8911

2005

  1. An assessment of a simple hardness kernel approximation for the calculation of the global hardness in a series of Lewis acids and bases

    Journal of Molecular Structure: THEOCHEM, Vol. 727, Núm. 1-3 SPEC. ISS., pp. 139-148