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   Articles with "interplay steric" as a keyword



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A computational study of the interplay of steric and electronic effects in the stabilization of 1,3-(diamino)oxyallyls

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recommendations! Published in 2018 at "Journal of Molecular Structure"

DOI: 10.1016/j.molstruc.2018.02.029

Abstract: Abstract Ring opening of cyclopropanones affords non-Kekule oxyallyls, which are usually fleeting intermediates. However, recent experimental results showed that amino-substituted versions can be stable enough to be characterized in solution by NMR spectroscopy. Herein, the… read more here.

Keywords: steric electronic; stabilization; study interplay; computational study ... See more keywords
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Interplay of Steric and Electronic Effects on the Bonding Components in Aromatic Ring Agostic Interactions

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recommendations! Published in 2017 at "Organometallics"

DOI: 10.1021/acs.organomet.7b00656

Abstract: Density functional theory (DFT) calculations on the effect of steric size adjacent to an agostic interaction in ligand assisted Pd–C bond formation involving aromatic rings gives insight into why the synthetic reaction can fail as… read more here.

Keywords: steric electronic; effects bonding; donation; aromatic ring ... See more keywords
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Interplay of Steric Effects and Aromaticity Reversals to Expand the Structural/Electronic Responses of Dihydrophenazines.

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recommendations! Published in 2022 at "Journal of the American Chemical Society"

DOI: 10.1021/jacs.1c12610

Abstract: To gain insights into the coupling of conformational and electronic variables, we exploited steric hindrance to modulate a polycyclic skeleton with a bent conformation in the S0 state and a twisted conformation in the S1… read more here.

Keywords: effects aromaticity; steric effects; interplay steric; dpp dpp ... See more keywords
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Interplay between steric and hydrodynamic interactions for ellipsoidal magnetic nanoparticles in a polymer suspension.

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recommendations! Published in 2023 at "Soft matter"

DOI: 10.1039/d2sm01428a

Abstract: Magnetic nanoparticles couple to polymeric environments by several mechanisms. These include van der Waals, steric, hydrodynamic and electrostatic forces. This leads to numerous interesting effects and potential applications. Still, the details of the coupling are… read more here.

Keywords: interplay steric; steric hydrodynamic; magnetic nanoparticles; polymer suspension ... See more keywords