Synergy of machine learning and density functional theory calculations for predicting experimental Lewis base affinity and Lewis polybase binding atoms
Work
Year: 2024
Type: article
Abstract: Investigation of Lewis acid–base interactions has been conducted by ab initio calculations and machine learning (ML) models. This study aims to resolve two critical tasks that have not been quantitat... more
Cites: 56
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Related to: 10
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Subfield: Materials Chemistry
Field: Materials Science
Domain: Physical Sciences
Open Access status: green