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20132026
most citedHow to verify the precision of density-functional-theory implementations via reproducible and universal workflows

87 citations · 105 across the 3 of their papers we have counts for

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cond-mat.mes-hall2013★ 18 cited

Hybridisation at the organic-metal interface: a surface-scientific analogue of Hückel's rule?

Hasmik Harutyunyan, Martin Callsen, Tobias Allmers +4

We demonstrate that cyclooctatetraene (COT) can be stabilised in different conformations when adsorbed on different noble-metal surfaces due to varying molecule-substrate interacti…