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Chiara Caratelli
Chiara Caratelli
Center for Molecular Modeling, Gent University
Verified email at ugent.be
Title
Cited by
Cited by
Year
Nature of active sites on UiO-66 and beneficial influence of water in the catalysis of Fischer esterification
C Caratelli, J Hajek, FG Cirujano, M Waroquier, FXL i Xamena, ...
Journal of catalysis 352, 401-414, 2017
1642017
Active role of methanol in post-synthetic linker exchange in the metal–organic framework UiO-66
J Marreiros, C Caratelli, J Hajek, A Krajnc, G Fleury, B Bueken, ...
Chemistry of Materials 31 (4), 1359-1369, 2019
452019
On the intrinsic dynamic nature of the rigid UiO-66 metal–organic framework
J Hajek, C Caratelli, R Demuynck, K De Wispelaere, L Vanduyfhuys, ...
Chemical science 9 (10), 2723-2732, 2018
392018
Influence of a Confined Methanol Solvent on the Reactivity of Active Sites in UiO‐66
C Caratelli, J Hajek, SMJ Rogge, S Vandenbrande, EJ Meijer, ...
ChemPhysChem 19 (4), 420-429, 2018
132018
Dynamic interplay between defective UiO‐66 and protic solvents in activated processes
C Caratelli, J Hajek, EJ Meijer, M Waroquier, V Van Speybroeck
Chemistry–A European Journal 25 (67), 15315-15325, 2019
122019
Insights on the realgar crystal under pressure from XP-PCM and periodic model calculations
C Caratelli, R Cammi, R Chelli, M Pagliai, G Cardini, V Schettino
The Journal of Physical Chemistry A 121 (46), 8825-8834, 2017
122017
Elucidation of the pre-nucleation phase directing metal-organic framework formation
M Filez, C Caratelli, M Rivera-Torrente, F Muniz-Miranda, M Hoek, ...
Cell Reports Physical Science 2 (12), 100680, 2021
32021
Towards a molecular level understanding of active sites for catalysis and the interactions with solvents in zirconium based metal-organic frameworks at operating conditions
C Caratelli
Ghent University, 2019
2019
Comparison between PCM-XP method and periodic boundary model for the calculation of structural and spectroscopic properties of high pressure systems
C Caratelli
Università degli studi di Firenze, 2015
2015
Studio ab initio del clatrato idrato di metano
C Caratelli
Università degli studi di Firenze, 2013
2013
Nature of active sites on UiO-66 and UiO-66-NH2 in the catalysis of Fischer esterification
C Caratelli, J Hajek, FG Cirujano, M Waroquier
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