"Expanding horizons in conceptual density functional theory: Novel ..."

Guillaume Hoffmann et al. (2024)

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DOI: 10.1002/JCC.27363

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type: Journal Article

metadata version: 2024-07-19

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Guillaume Hoffmann, Frédéric Guégan, Vanessa Labet, Laurent Joubert, Henry Chermette, Christophe Morell, Vincent Tognetti:
Expanding horizons in conceptual density functional theory: Novel ensembles and descriptors to decipher reactivity patterns. J. Comput. Chem. 45(20): 1716-1726 (2024)

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