Mapa strony Przejdź do treści

Repozytorium

Wyszukaj

Kolekcje

Inne

Słowo kluczowe topology

2011

A mechanism of the 1,3-dipolar cycloaddition between the hydrogen nitryl HNO2 and acetylene HCCH: the electron localization function study on evolution of the chemical bonds.

Berski Sławomir, Latajka Zdzisław

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.

2018

Characterisation of the reaction mechanism between ammonia and formaldehyde from the topological analysis of ELF and catastrophe theory perspective.

Ćmikiewicz Agnieszka, Gordon Agnieszka J., Berski Sławomir

2018

Nickel(II) based homo- vs heterometallic 1D coordination polymers derived from a novel 6-aminouracil building block: structures, topologies, non-covalent interactions, magnetism, and antibacterial activity.

Purkayastha Atanu, Debnath Diptanu, Majumder Moumita, Ortega-Castro Joaquín, Kirillov Alexander M., Ganguly Rakesh, Kłak Julia, Frontera Antonio, Misra Tarun Kumar

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.

2020

The nature of the triple B≡B, double, B=B, single, B–B, and one-electron, B·B boron-boron bonds from the topological analysis of electron localisation function (ELF) perspective.

Mierzwa Grzegorz, Gordon Agnieszka J., Berski Sławomir

2019

Topological analysis of electron localisation function: unlocking the nature of B—C chemical bond. Possible existence of multiple bonds B=C and B≡C.

Mierzwa Grzegorz, Gordon Agnieszka J., Berski Sławomir

2019

Zastosowanie topologicznej analizy funkcji lokalizacji elektronów (ELF) do badania struktury elektronowej molekuł = Application of topological analysis of electron localisation function (ELF) to study electronic structure of molecules.

Berski Sławomir