Adsorption of polycyclic aromatic hydrocarbons and inversion barriers of curved conjugated systems inside the molecular cage ExCage6+
Author:
Affiliation:
1. Computational Nanotechnology, DETEMA, Facultad de Química, UDELAR, CC 1157, 11800 Montevideo; Uruguay Montevideo Uruguay
Funder
CSIC
ANII
PEDECIBA Quimica
Publisher
Wiley
Subject
Physical and Theoretical Chemistry,Condensed Matter Physics,Atomic and Molecular Physics, and Optics
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2. Analysis of the host–guest complex formation involving bridged hexameric pyridinium–phenyl rings in the HexaCage6+ host in suit[3]ane: insights from dispersion-corrected DFT calculations for a nanometric mechanically interlocked device;Journal of Nanostructure in Chemistry;2022-05-21
3. Perylene bisimide cyclophanes as receptors for planar transition structures – catalysis of stereoinversions by shape-complementarity and noncovalent π–π interactions;Organic Chemistry Frontiers;2021
4. Flat corannulene: when a transition state becomes a stable molecule;Chemical Science;2020
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