Toward Universal Substituent Constants: Relating QTAIM Functional Group Descriptors to Substituent Effect Proxies

Lefrancois-Gagnon, KM; Mawhinney, RC

Mawhinney, RC (通讯作者),Lakehead Univ, Dept Chem, Thunder Bay, ON P7B 5E1, Canada.

JOURNAL OF CHEMICAL INFORMATION AND MODELING, 2023; 63 (19): 6068

Abstract

Substituents modulate reactions, but their effects are commonly described by using proxies to their functional group properties. Substituent descripto......

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