The Halogen-Bond Nature in Noble Gas–Dihalogen Complexes from Scattering Experiments and Ab Initio Calculations

por Nunzi, Francesca, Di Erasmo, Benedetta, Tarantelli, Francesco, Cappelletti, David, Pirani, Fernando
Publicado 2019

How π back-donation quantitatively controls the CO stretching response in classical and non-classical metal carbonyl complexes

por Bistoni, Giovanni, Rampino, Sergio, Scafuri, Nicola, Ciancaleoni, Gianluca, Zuccaccia, Daniele, Belpassi, Leonardo, Tarantelli, Francesco
Publicado 2016

Dioxygen insertion into the gold(i)–hydride bond: spin orbit coupling effects in the spotlight for oxidative addition

por Gaggioli, Carlo Alberto, Belpassi, Leonardo, Tarantelli, Francesco, Zuccaccia, Daniele, Harvey, Jeremy N., Belanzoni, Paola
Publicado 2016

Leading Interaction Components in the Structure and Reactivity of Noble Gases Compounds

por Nunzi, Francesca, Pannacci, Giacomo, Tarantelli, Francesco, Belpassi, Leonardo, Cappelletti, David, Falcinelli, Stefano, Pirani, Fernando
Publicado 2020

Orbital Decomposition of the Carbon Chemical Shielding Tensor in Gold(I) N‐Heterocyclic Carbene Complexes

por Izquierdo, Maria A., Tarantelli, Francesco, Broer, Ria, Bistoni, Giovanni, Belpassi, Leonardo, Havenith, Remco W. A.
Publicado 2020

Environmental Effects with Frozen-Density Embedding in Real-Time Time-Dependent Density Functional Theory Using Localized Basis Functions

por De Santis, Matteo, Belpassi, Leonardo, Jacob, Christoph R., Severo Pereira Gomes, André, Tarantelli, Francesco, Visscher, Lucas, Storchi, Loriano
Publicado 2020