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"Minimal Basis Set Hartree-Fock Corrected with Atom-Centered Potentials for ..."

Emilian Tuca, Gino Dilabio, Alberto Otero-de-la-Roza (2022)

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DOI: 10.1021/ACS.JCIM.2C00656

access: closed

type: Journal Article

metadata version: 2022-10-18

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Emilian Tuca, Gino Dilabio, Alberto Otero-de-la-Roza:
Minimal Basis Set Hartree-Fock Corrected with Atom-Centered Potentials for Molecular Crystal Modeling and Crystal Structure Prediction. J. Chem. Inf. Model. 62(17): 4107-4121 (2022)

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