Browsing Trabajos Académicos-F. Química by Author "Ramos Cordoba, Eloy"
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Análisis de la aromaticidad con la teoría de Orbitales Moleculares de Hückel
González de Chavarri Ylla, Markel (2021-02-26)In this work, we review H¨uckel’s Molecular Orbital theory (HMO) in order to study the behaviour of some aromaticity indices (FLU, Iring, MCI and PDI) in annulenes and polyacenes in their ground state and their excited ... -
Computational study of aromaticity with electron delocalization indices
Aleson Gurruchaga, Ander (2023-10-09)In this undergraduate thesis, a computational study on aromaticity has been conducted. The calculation of various aromaticity indices for different molecules was performed, with a particular focus on analyzing the behavior ...