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Effects of perturbation order and basis set on alchemical predictions

Type of publication Peer-reviewed
Publikationsform Original article (peer-reviewed)
Author Domenichini Giorgio, von Rudorff Guido Falk, von Lilienfeld O. Anatole,
Project Sampling chemical space with alchemical perturbation theory
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Original article (peer-reviewed)

Journal The Journal of Chemical Physics
Volume (Issue) 153(14)
Page(s) 144118 - 144118
Title of proceedings The Journal of Chemical Physics
DOI 10.1063/5.0023590