Theoretical-computational modeling of charge transfer and intersystem crossing reactions in complex chemical systems

por Amadei, Andrea, Aschi, Massimiliano
Publicado 2018

Theoretical–Computational Modeling of CD Spectra of Aqueous Monosaccharides by Means of Molecular Dynamics Simulations and Perturbed Matrix Method

por Aschi, Massimiliano, Palombi, Laura, Amadei, Andrea
Publicado 2023

A computational approach for modeling electronic circular dichroism of solvated chromophores

por Monti, Marta, Stener, Mauro, Aschi, Massimiliano
Publicado 2022

An Integrated Computational Approach to Rationalize the Activity of Non-Zinc-Binding MMP-2 Inhibitors

por Di Pizio, Antonella, Agamennone, Mariangela, Aschi, Massimiliano
Publicado 2012

A Combined Experimental and Computational Study of Halogen and Hydrogen Bonding in Molecular Salts of 5-Bromocytosine

por Aschi, Massimiliano, Toto Brocchi, Giorgia, Portalone, Gustavo
Publicado 2021

Theoretical-Computational Modeling of Gas-State Thermodynamics in Flexible Molecular Systems: Ionic Liquids in the Gas Phase as a Case Study

por Amadei, Andrea, Ciccioli, Andrea, Filippi, Antonello, Fraschetti, Caterina, Aschi, Massimiliano
Publicado 2022

A Simplified Treatment for Efficiently Modeling the Spectral Signal of Vibronic Transitions: Application to Aqueous Indole

por Chen, Cheng Giuseppe, Aschi, Massimiliano, D’Abramo, Marco, Amadei, Andrea
Publicado 2022

Exploring the role of L209 residue in the active site of NDM-1 a metallo-β-lactamase

por Marcoccia, Francesca, Leiros, Hanna-Kirsti S., Aschi, Massimiliano, Amicosante, Gianfranco, Perilli, Mariagrazia
Publicado 2018

Electrochemical-Induced Cascade Reaction of 2-Formyl Benzonitrile with Anilines: Synthesis of N-Aryl Isoindolinones

por Morlacci, Valerio, Caruso, Tonino, Chiarini, Marco, Arcadi, Antonio, Aschi, Massimiliano, Palombi, Laura
Publicado 2022

Effect of the Incorporation of Functionalized Cyclodextrins in the Liposomal Bilayer

por Zappacosta, Romina, Cornelio, Benedetta, Pilato, Serena, Siani, Gabriella, Estour, François, Aschi, Massimiliano, Fontana, Antonella
Publicado 2019

What Contributes to the Measured Chiral Optical Response of the Glutathione-Protected Au(25) Nanocluster?

por Monti, Marta, Matus, María Francisca, Malola, Sami, Fortunelli, Alessandro, Aschi, Massimiliano, Stener, Mauro, Häkkinen, Hannu
Publicado 2023

Evidence of a Distinctive Enantioselective Binding Mode for the Photoinduced Radical Cyclization of α-Chloroamides in Ene-Reductases

por Capone, Matteo, Dell’Orletta, Gianluca, Nicholls, Bryce T., Scholes, Gregory D., Hyster, Todd K., Aschi, Massimiliano, Daidone, Isabella
Publicado 2023