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Published in 2023 at "Chemical Science"
DOI: 10.1039/d3sc00037k
Abstract: Steric and electronic effects play a very important role in chemistry, as these effects influence the shape and reactivity of molecules. Herein, an easy-to-perform approach to assess and quantify steric properties of Lewis acids with…
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Keywords:
easy perform;
steric properties;
lewis acids;
evaluation steric ... See more keywords
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Published in 2018 at "International Journal of Electrochemical Science"
DOI: 10.20964/2018.12.78
Abstract: This article indicated a novel methodology of evaluation of steric effect of (hydroquinone (HQ), tertButyl hydroquinone (TBHQ) and 2, 5-ditert-butyl hydroquinone (DTBHQ)) by using a BriggsRauscher chemical oscillating system. The macro cyclic [NiL](ClO4)2 complex catalyst…
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Keywords:
hydroquinone;
evaluation steric;
butyl;
butyl hydroquinone ... See more keywords
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Published in 2023 at "Molecules"
DOI: 10.3390/molecules28093768
Abstract: A density functional theory (DFT) study combined with the steric maps of buried volume (%VBur) as molecular descriptors and an energy decomposition analysis through the ASM (activation strain model)–NEDA (natural energy decomposition analysis) approach were…
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Keywords:
evaluation steric;
steric electronic;
computational evaluation;
pyridylamido type ... See more keywords