Charge-Flow Profiles along Curvilinear Paths: A Flexible Scheme for the Analysis of Charge Displacement upon Intermolecular Interactions

por Sagresti, Luca, Rampino, Sergio
Publicado 2021

Stochastic Model of Solvent Exchange in the First Coordination Shell of Aqua Ions

por Sagresti, Luca, Peri, Lorenzo, Ceccarelli, Giacomo, Brancato, Giuseppe
Publicado 2022

Expanding the Chemical Space of Tetracyanobuta‐1,3‐diene (TCBD) through a Cyano‐Diels‐Alder Reaction: Synthesis, Structure, and Physicochemical Properties of an Anthryl‐fused‐TCBD...

por Mateo, Luis M., Sagresti, Luca, Luo, Yusen, Guldi, Dirk M., Torres, Tomas, Brancato, Giuseppe, Bottari, Giovanni
Publicado 2021

Chanalyzer: A Computational Geometry Approach for the Analysis of Protein Channel Shape and Dynamics

por Raffo, Andrea, Gagliardi, Luca, Fugacci, Ulderico, Sagresti, Luca, Grandinetti, Simone, Brancato, Giuseppe, Biasotti, Silvia, Rocchia, Walter
Publicado 2022