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Supporting_Information_XRW_DFAs+Periodic_effects.pdf (1.03 MB)

SUPP. INFORMATION FOR Critical assessment of the X-ray restrained wave function approach: advantages, drawbacks and perspectives for Density Functional Theory and periodic ab initio calculations

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posted on 2024-06-20, 04:05 authored by Alessandro Genoni, Angel Martin Pendas
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    Journal of Chemical Physics

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