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Results: 4

Hugo Marchi Luciano, Athul Santha Bhaskaran, Cristian Montiel-Andreotti, Eva Prat-Font, Fiza Fariha, Pere Galán-Masferrer, Marcel Swart, Agustí Lledó
A modular family of chiral cavitand receptors: tuning the chiroptical response of achiral fullerene guests
Org. Chem. Front., 2026, [], ASAP-
DOI: 10.1039/D6QO00249H
OpenAccess: Link
Keywords: Computational chemistry, Confined space, Electron and energy transfer, Spectroscopy, Supramolecular chemistry

Erik Díaz-Cervantes, Juvencio Robles, Miquel Solà, Marcel Swart
The peptide bond rupture mechanism in the serine proteases: an in silico sequential scale models study
Phys. Chem. Chem. Phys., 2023, 25, 8043-8049
DOI: 10.1039/D2CP04872H
OpenAccess: –
Keywords: Computational chemistry, Confined space, Reaction mechanisms

Abril Castro, Adrian Romero-Rivera, Sílvia Osuna, K. N. Houk, Marcel Swart
Computatuonal NMR spectra of o-benzyne and stable guests and their hemicarceplexes
Chem. Eur. J., 2020, 26, 2626-2634
DOI: 10.1002/chem.201904756
OpenAccess: –
Keywords: Computational chemistry, Confined space, Nanocages, Spectroscopy, Supramolecular chemistry

Sílvia Osuna, Marcel Swart

Editorial (Hot Topic: Nanoreactors and Molecular Prisons)
COC, 2013, 17, 1469-1469
DOI: 10.2174/1385272811317140002
OpenAccess: –
Keywords: Computational chemistry, Confined space, Density Functional Theory

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