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Słowo kluczowe electron localization function
2011
2010
Ab initio and quantum chemical topology studies on the isomerization of HONO to HNO2. Effect of the basis set in QCT.
Berski Sławomir, Latajka Zdzisław, Gordon Agnieszka J.
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
2010
2019
Topological analysis of the electron localisation function (ELF) applied to the electronic structure of oxaziridine: the nature of N-O bond.
Michalski Michał, Gordon Agnieszka J., Berski Sławomir
2017
Understanding the reactivity and regioselectivity of [3 + 2] cycloaddition reactions between substituted nitrile oxides and methyl acrylate. A molecular electron density theory study.
Ndassa Ibrahim Mbouombouo, Adjieufack Abel Idrice, Ketcha Joseph Mbadcam, Berski Sławomir, Ríos-Gutiérrez Mar, Domingo Luis R.