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Department of Chemistry "Giacomo Ciamician"

Computational and theoretical chemistry

The study of physical and chemical processes at a molecular and supramolecular level, including reactions mechanisms, with quantum mechanical, classical mechanical and statistical thermodynamical tools.

People

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Riccardo Amorati

Associate Professor

keywords: free radicals, lipid peroxidation, nanomaterials, antioxidants
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Matteo Calvaresi

Associate Professor

keywords: Nanotechnology, Nanomedicine, Carbon nanoparticles, Bioconjugation Techniques, Computational Chemistry
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Luca Evangelisti

Associate Professor

keywords: Rotational spectroscopy, Molecular structure, Molecular modeling, Cheminformatics
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Daniele Fazzi

Associate Professor

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Assimo Maris

Associate Professor

keywords: Spectroscopy, Molecular modeling, Molecular structure, Intra- and inter- molecular large amplitude motions, Molecular
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Mattia Melosso

Junior assistant professor (fixed-term)

keywords: Molecular spectroscopy, Interstellar molecules, Rotational and ro-vibrational spectra, Flash vacuum pyrolysis,
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Fabrizia Negri

Full Professor

keywords: computational chemistry, quantum-chemical methods, kinetic monte carlo, organic semiconductors, charge transport,