Optical Activity of Metal Nanoclusters Deposited on Regular and Doped Oxide Supports from First-Principles Simulations

por Sementa, Luca, Stener, Mauro, Fortunelli, Alessandro
Publicado 2021

Continuum Electronic States: The Tiresia Code

por Decleva, Piero, Stener, Mauro, Toffoli, Daniele
Publicado 2022

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

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

A computational approach for modeling electronic circular dichroism of solvated chromophores

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

Time Evolution of Plasmonic Features in Pentagonal Ag Clusters

por Domenis, Nicola, Grobas Illobre, Pablo, Marsili, Margherita, Stener, Mauro, Toffoli, Daniele, Coccia, Emanuele
Publicado 2023

A Resolution of Identity Technique to Speed up TDDFT with Hybrid Functionals: Implementation and Application to the Magic Cluster Series Au(8n+4)(SC(6)H(5))(4n+8) (n = 3–6)

por D’Antoni, Pierpaolo, Medves, Marco, Toffoli, Daniele, Fortunelli, Alessandro, Stener, Mauro, Visscher, Lucas
Publicado 2023

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

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

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

Atomically precise Au(144)(SR)(60) nanoclusters (R = Et, Pr) are capped by 12 distinct ligand types of 5-fold equivalence and display gigantic diastereotopic effects

por Dainese, Tiziano, Agrachev, Mikhail, Antonello, Sabrina, Badocco, Denis, Black, David M., Fortunelli, Alessandro, Gascón, José A., Stener, Mauro, Venzo, Alfonso, Whetten, Robert L., Maran, Flavio
Publicado 2018

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