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Słowo kluczowe Electron localization function (ELF)

2017

Dimeric nature of N-coordinated Mg and Ca ions in metaloorganic compounds. The topological analysis of ELF functions for Mg—Mg and Ca—Ca bonds.

Berski Sławomir, Durlak Piotr

2016

How many electrons form chemical bonds in the NgBeS (Ng = Ar, Kr, Xe) molecules? Topological study using the electron localisation function (ELF) and electron localisability indicator (ELI-D).

Makarewicz Emilia, Gordon Agnieszka J., Berski Sławomir

2019

Internal hydrogen bond influences the formation of [2+2] Schiff base macrocycle: open-chain vs. hemiaminal and macrocycle forms.

Bil Andrzej, Gregoliński Janusz, Biczysko Małgorzata

2016

On the nature of interactions in the F2OXe···NCCH3 complex : is there the Xe(IV)—N bond?

Makarewicz Emilia, Lundell Jan, Gordon Agnieszka J., Berski Sławomir

2016

The electronic structure of the xenon insertion compounds XXe−MX2 (X = F, Cl, Br, I ; M = B, Al, Ga).

Makarewicz Emilia, Gordon Agnieszka J., Berski Sławomir

2015

The mechanism of the formation of the hemiaminal and Schiff base from the benzaldehyde and triazole studied by means of the topological analysis of electron localisation function and catastrophe theory.

Berski Sławomir, Ciunik Leszek Z.

2016

The nature of inter- and intramolecular interactions in F2OXe···HX (X=F, Cl, Br, I) complexes.

Makarewicz Emilia, Lundell Jan, Gordon Agnieszka J., Berski Sławomir

2016

Theoretical studies on the molecular structure, conformational preferences, topological and vibrational analysis of allicin.

Durlak Piotr, Berski Sławomir, Latajka Zdzisław