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20122025
most citedLibxc: a library of exchange and correlation functionals for density functional theory

616 citations

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cond-mat.mtrl-sci2020★ 17 cited

Molecular anchoring stabilizes low valence Ni(I)TPP on copper against thermally induced chemical changes

Henning Maximilian Sturmeit, Iulia Cojocariu, Matteo Jugovac +14

Many applications of molecular layers deposited on metal surfaces, ranging from single-atom catalysis to on-surface magnetochemistry and biosensing, rely on the use of thermal cycl…