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• W3207311079 abstract "The increased use of both pillar[5]arenes and pillar[6]arenes, stimulated by increasingly efficient syntheses of both, has brought forward the question as to what drives the intermediates in this Friedel-Crafts ring formation to form a pillar[5]arene, a pillar[6]arene, or any other sized macrocycle. This study sets out to answer this question by studying both the thermodynamics and kinetics involved in the absence and presence of templating solvents using high-end wB97XD/6-311G(2p,2d) DFT calculations." @default.
• W3207311079 created "2021-10-25" @default.
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• W3207311079 date "2021-10-22" @default.
• W3207311079 modified "2023-09-27" @default.
• W3207311079 title "On the Stability and Formation of Pillar[<i>n</i>]arenes: a DFT Study" @default.
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• W3207311079 doi "https://doi.org/10.1021/acs.joc.1c01679" @default.
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