Open-shell pair interaction energy decomposition analysis (PIEDA): Formulation and application to the hydrogen abstraction in tripeptides

Mandy C. Green, Dmitri G. Fedorov, Kazuo Kitaura, Joseph S. Francisco, Lyudmila V. Slipchenko

Research output: Contribution to journalArticlepeer-review

36 Scopus citations

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Physics & Astronomy

Chemical Compounds