75 citations · 314 across the 14 of their papers we have counts for
4 papers · 1 filter
A quantum mechanical insight into SN2 reactions: Semiclassical initial value representation calculations of vibrational features of the Cl--CHCl pre-reaction complex with the VENUS suite of codes
X. Ma, G. Di Liberto, R. Conte +2
The role of vibrational excitation of reactants in driving reactions involving polyatomic species has been often studied by means of classical or quasi-classical trajectory simulat…
Anharmonic Vibrational Eigenfunctions and Infrared Spectra from Semiclassical Molecular Dynamics
Marco Micciarelli, Riccardo Conte, Jaime Suarez +1
We describe a new approach based on semiclassical molecular dynamics that allows to simulate infrared absorption or emission spectra of molecular systems with inclusion of anharmon…
'Divide-and-conquer' semiclassical molecular dynamics: An application to water clusters
Giovanni Di Liberto, Riccardo Conte, Michele Ceotto
We present an investigation of vibrational features in water clusters performed by means of our recently established divide-and-conquer semiclassical approach [M. Ceotto, G. Di Lib…
"Divide and Conquer" Semiclassical Molecular Dynamics: A practical method for Spectroscopic calculations of High Dimensional Molecular Systems
Giovanni Di Liberto, Riccardo Conte, Michele Ceotto
We extensively describe our recently established "divide-and-conquer" semiclassical method [M. Ceotto, G. Di Liberto and R. Conte, Phys. Rev. Lett. 119, 010401 (2017)] and propose…