Publicacións en colaboración con investigadores/as de University of Wrocław (7)

2017

  1. Understanding the reactivity and regioselectivity of [3 + 2] cycloaddition reactions between substituted nitrile oxides and methyl acrylate. A molecular electron density theory study

    International Journal of Quantum Chemistry, Vol. 117, Núm. 24

2012

  1. Electronic fluxes during diels-alder reactions involving 1,2-benzoquinones: Mechanistic insights from the analysis of electron localization function and catastrophe theory

    Journal of Computational Chemistry, Vol. 33, Núm. 30, pp. 2400-2411

  2. Nature of the ring-closure process along the rearrangement of octa-1,3,5,7-tetraene to cycloocta-1,3,5-triene from the perspective of the electron localization function and catastrophe theory

    Journal of Computational Chemistry, Vol. 33, Núm. 7, pp. 748-756

2011

  1. Describing the Molecular mechanism of Organic reactions by using topological analysis of Electronic localization function

    Current Organic Chemistry, Vol. 15, Núm. 20, pp. 3566-3575

2008

  1. Understanding reaction mechanisms in organic chemistry from catastrophe theory applied to the electron localization function topology

    Journal of Physical Chemistry A, Vol. 112, Núm. 31, pp. 7128-7136

2006

  1. New findings on the Diels - Alder reactions. An analysis based on the bonding evolution theory

    Journal of Physical Chemistry A, Vol. 110, Núm. 51, pp. 13939-13947

2003

  1. The joint use of catastrophe theory and electron localization function to characterize molecular mechanisms. A density functional study of the Diels-Alder reaction between ethylene and 1,3-butadiene

    Journal of Physical Chemistry A, Vol. 107, Núm. 31, pp. 6014-6024