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List of works by Pavlo Golub

Data-driven kinetic energy density fitting for orbital-free DFT: Linear vs Gaussian process regression

scientific article published on 01 August 2020

Designing 3D topological insulators by 2D-Xene (X = Ge, Sn) sheet functionalization in GaGeTe-type structures

scientific article

Discovering Electron-Transfer-Driven Changes in Chemical Bonding in Lead Chalcogenides (PbX, where X = Te, Se, S, O)

scientific article published on 02 November 2020

Reply to the 'Comment on "Revisiting π backbonding: the influence of d orbitals on metal-CO bonds and ligand red shifts"' by G. Frenking and S. Pan, Phys. Chem. Chem. Phys., 2019, 22, DOI

scientific article published on 01 March 2020

Revisiting π backbonding: the influence of d orbitals on metal-CO bonds and ligand red shifts

scientific article published on 13 September 2019

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