CORDIS Project
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This project focuses on enhancing the understanding of aromaticity and resonance in chemical species through a new computational method. By assessing aromatic stabilization in complex systems, it aims to improve insights into catalytic processes and material design in various scientific fields.
Aromaticity and bond resonance are the key concepts in chemistry that rationalize the structure and reactivity of countless number of chemical species.
Qualitative assessment of aromaticity and the resonance stabilization effects is crucial for understanding different phenomena in photochemistry, catalysis, organic electronics, supramolecular chemistry, molecular biology etc.
However, the real predictive power of these concepts is still dramatically understated, since many of the currently used…
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