Decision trees for coordination chirality in metal complexes

Vol 2, 2023 - 163601
Oral
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Abstract

• Chirality at metal: an overlooked characteristic of lanthanide complexes
• Robust mathematical framework for determining coordination chirality
• Chiral-at-metal probabilities, f-block metal elements' chiroptical properties
• Decision trees for coordination chirality in metal complexes
• Influence of ligand types on chiral probabilities
• Impact of ligand arrangements on chiral probabilities

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Institutions
  • 1 Universidade Federal de Pernambuco - UFPE
Track
  • Machine Learning/Artificial Intelligence
Keywords
chiral lanthanide complexes; chiral-at-metal probabilities; decision trees; coordination compounds