Rezumat articol ediţie STUDIA UNIVERSITATIS BABEŞ-BOLYAI

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This work is an original synopsis over different structural patterns, from different areas of chemistry, unified under the broadened paradigm of the aromaticity. Cluster, coordination and supramolecular systems selected from our own work, as well as correlated literature examples are gathered together and revisited with state of the art electron structure methods and post-computational analyses. Methodological innovations, such as the vibronic approach and the simulation of resonance structures by enforced electron population of correspondingly prepared natural bond orbitals afforded the revealing of new keys for the old keyword of aromaticity.

Keywords: aromaticity, ab initio calculations, vibronic models, resonance structures, natural bond orbitals, coordination chemistry, organometallic chemistry, supramolecular assembling.