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Autor publikacji Patricio González-Navarrete
2014
Following the molecular mechanism for the NH3 +LiH → LiNH2 + H2 chemical reaction: a study based on the joint use of the quantum theory of atoms in molecules (QTAIM) and noncovalent interaction (NCI) index.
Andrés Juan, Berski Sławomir, Contreras-García Julia, González-Navarrete Patricio
2012
Electronic fluxes during Diels-Alder reactions involving 1,2-benzoquinones: mechanistic insights from the analysis of electron localization function and catastrophe theory.
González-Navarrete Patricio, Domingo Luis R., Andrés Juan, Berski Sławomir, Silvi Bernard
2012
How a quantum chemical topology analysis enables prediction of electron density transfers in chemical reactions. The degenerated cope rearrangement of semibullvalene.
González-Navarrete Patricio, Andrés Juan, Berski Sławomir
2012
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.
Andrés Juan, Berski Sławomir, Domingo Luis R., González-Navarrete Patricio