Publicacións nas que colabora con NICOLAS OTERO MARTINEZ (10)

2012

  1. A QTAIM-based energy partitioning for understanding the physical origin of conformational preferences: Application to the Z effect in O=C-X-R and related units

    Journal of Computational Chemistry, Vol. 33, Núm. 32, pp. 2533-2543

  2. An electron-density-based study on the ionic reactivity of 1,3-azoles

    European Journal of Organic Chemistry, pp. 2403-2413

2011

  1. Electron density distributions of heterocycles: A shortcoming of the resonance model

    Quantum Frontiers of Atoms and Molecules (Nova Science Publishers, Inc.), pp. 343-366

  2. Molecular structure of cyanidin metal complexes: Al(III) versus Mg(II)

    Theoretical Chemistry Accounts, Vol. 128, Núm. 4, pp. 485-495

2010

  1. A computational study on the acidity dependence of radical-scavenging mechanisms of anthocyanidins

    Journal of Physical Chemistry B, Vol. 114, Núm. 29, pp. 9706-9712

2009

  1. Computational study on the stacking interaction in catechol complexes

    Journal of Physical Chemistry A, Vol. 113, Núm. 41, pp. 11051-11058

2007

  1. Nucleophilicity of indole derivatives: Activating and deactivating effects based on proton affinities and electron density properties

    Journal of Physical Chemistry A, Vol. 111, Núm. 25, pp. 5557-5562

  2. Revisiting the calculation of condensed Fukui functions using the quantum theory of atoms in molecules

    Journal of Chemical Physics, Vol. 126, Núm. 23

2006

  1. Local aromaticity study of heterocycles using n-center delocalization indices: the role of aromaticity on the relative stability of position isomers

    Tetrahedron, Vol. 62, Núm. 52, pp. 12204-12210

  2. QTAIM study of the protonation of indole

    Chemical Physics Letters, Vol. 428, Núm. 4-6, pp. 249-254