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Elucidating Host-Guest Interactions, Reactivity, and Intrinsic Dynamics in Complex Supramolecular Systems Via Molecular Dynamics Simulations

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← Novel approaches to selective halogenation of aliphatic C-H bonds based on bioinspired non-heme iron(IV)-oxo complexes

Supramolecular Masks for Selective Encapsulation ans Regioselective Functionalization of Fullerenes and EMFs →

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Nil Roig and Omkar Charapale win poster prize at the CBOND2026
Pedro Salvador Elected President of the European Committee for Chemical Bonding
Cover Org. Chem. Front. on a modular family of chiral cavitand receptors: tuning the chiroptical response of achiral fullerene guests
IQCC Science Slam 2026, September 29th 12:30h
PhD defense Clara Sabrià Figueras

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The Institute of Computational Chemistry and Catalysis (IQCC) of the University of Girona (UdG) is a worldwide reference unit in computational chemistry and catalysis that aims at carrying out groundbreaking research on predictive chemistry for catalysis, with special focus on the processes occurring at the confined space for the coming years. [More]

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Institut de Química Computacional i Catàlisi
Facultat de Ciències, Universitat de Girona
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17003 Girona
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