Publications by authors named "Francesca Fasulo"

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Electronic Structure and Interfacial Hole Transfer in a Di-Rhodium Photocatalyst on a p‑Type NiO Electrode.
Francesca Fasulo, Adriana Pecoraro, Ana B Muñoz-García, Michele Pavone

J Phys Chem C Nanomater Interfaces· November 2025

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Revisiting Oxygen Transport Features of Hemocyanin with NEVPT2 Level QM/MM Calculations.
Francesca Fasulo, Aarón Terán, Michele Pavone, Ana B Muñoz-García

J Chem Theory Comput· February 2025

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Deciphering the role of neutral diruthenium complexes in protein binding.
Giarita Ferraro, Aarón Terán, Francesco Galardo, Rosanna Lucignano, Delia Picone, Francesca Fasulo

Int J Biol Macromol· December 2024

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New Insights on Singlet Oxygen Release from Li-Air Battery Cathode: Periodic DFT Versus CASPT2 Embedded Cluster Calculations.
Francesca Fasulo, Arianna Massaro, Ana B Muñoz-García, Michele Pavone

J Chem Theory Comput· August 2023

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First-principles design of nanostructured electrode materials for Na-ion batteries: challenges and perspectives.
Arianna Massaro, Francesca Fasulo, Adriana Pecoraro, Aniello Langella, Ana B Muñoz-García

Phys Chem Chem Phys· July 2023

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First-principles study of interfacial features and charge dynamics between spiro-MeOTAD and photoactive lead halide perovskites.
Adriana Pecoraro, Francesca Fasulo, Michele Pavone, Ana B Muñoz-García

Chem Commun (Camb)· April 2023

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In Situ Formation of Zwitterionic Ligands: Changing the Passivation Paradigms of CsPbBr Nanocrystals.
Roberto Grisorio, Francesca Fasulo, Ana Belén Muñoz-García, Michele Pavone, Daniele Conelli

Nano Lett· June 2022

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Unexpected Imidazole Coordination to the Dirhodium Center in a Protein Environment: Insights from X-ray Crystallography and Quantum Chemistry.
Domenico Loreto, Francesca Fasulo, Ana B Muñoz-García, Michele Pavone, Antonello Merlino

Inorg Chem· June 2022

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