Show
Sort by
-
Spectroscopic fingerprint of electronic excitations in nanoporous frameworks and transition metal complexes
(2023) -
Unraveling phase transformations and reactivity in functional nanostructured materials using computational vibrational spectroscopy
(2023) -
- PhD Thesis
- open access
Synthesis and application of covalent triazine frameworks in heterogeneous catalysis
(2023) -
Towards state-of-the-art molecular simulations for an accurate modeling of intricate zeolite-catalyzed reactions
(2023) -
Development of porous organic polymers as heterogeneous photocatalysts
(2023) -
In-depth computational characterization of the structure and dynamics in covalent organic frameworks
(2023) -
A multiscale modeling approach to understand reactivity and interactions in complex molecular environments with applications in polymer chemistry
(2022) -
Non-food applications of anthocyanins extracted from agro-food residues : a combined experimental and theoretical study
(2021) -
- PhD Thesis
- open access
Orthogonal electronic structure engineering in nanoporous frameworks
(2020) -
A fundamental understanding of alkene adsorption and cracking in acid zeolite catalysts through advanced molecular simulations
(2020)