Optimization of density fitting auxiliary Slater‐type basis functions for time‐dependent density functional theory

por Medves, Marco, Fronzoni, Giovanna, Stener, Mauro
Publicado 2022

Accurate Vertical Excitation Energies of BODIPY/Aza-BODIPY Derivatives from Excited-State Mean-Field Calculations

por Toffoli, Daniele, Quarin, Matteo, Fronzoni, Giovanna, Stener, Mauro
Publicado 2022

Electronic Structure of Pentagonal Carbon Nanocones: An ab Initio Study

por Mattoso, Samuel Henrique, Brumas, Véronique, Evangelisti, Stefano, Fronzoni, Giovanna, Leininger, Thierry, Stener, Mauro
Publicado 2023

AgPd, AuPd, and AuPt Nanoalloys with Ag- or Au-Rich Compositions: Modeling Chemical Ordering and Optical Properties

por Danielis, Nicola, Vega, Lorena, Fronzoni, Giovanna, Stener, Mauro, Bruix, Albert, Neyman, Konstantin M.
Publicado 2021

Plasmonic Circular Dichroism in Chiral Gold Nanowire Dimers

por Toffoli, Daniele, Medves, Marco, Fronzoni, Giovanna, Coccia, Emanuele, Stener, Mauro, Sementa, Luca, Fortunelli, Alessandro
Publicado 2021

Computational NEXAFS Characterization of Molecular Model Systems for 2D Boroxine Frameworks

por Toffoli, Daniele, Bernes, Elisa, Cossaro, Albano, Balducci, Gabriele, Stener, Mauro, Mauri, Silvia, Fronzoni, Giovanna
Publicado 2022

Probing Intermolecular H-Bonding Interactions in Cyanuric Acid Networks: Quenching of the N K-Edge Sigma Resonances

por Lanzilotto, Valeria, Toffoli, Daniele, Bernes, Elisa, Stener, Mauro, Viola, Elisa, Cossaro, Albano, Costantini, Roberto, Grazioli, Cesare, Totani, Roberta, Fronzoni, Giovanna
Publicado 2022

Electronic properties of the boroxine–gold interface: evidence of ultra-fast charge delocalization

por Toffoli, Daniele, Stredansky, Matus, Feng, Zhijing, Balducci, Gabriele, Furlan, Sara, Stener, Mauro, Ustunel, Hande, Cvetko, Dean, Kladnik, Gregor, Morgante, Alberto, Verdini, Alberto, Dri, Carlo, Comelli, Giovanni, Fronzoni, Giovanna, Cossaro, Albano
Publicado 2017