Mirco Zerbetto (M Zerbetto)

Publication Activity (10 Years)

Years Active: 2017-2023
Publications (10 Years): 16

Top Topics

Density Functional Theory

Crystal Structure

Molecular Dynamics

Top Venues

The journal of physical chemistry. B

Physical chemistry chemical physics : PCCP

The Journal of chemical physics

The journal of physical chemistry letters

This page only lists publications with an associated author ORCID identifier.

Publications

Mirco Zerbetto, Christine Saint-Pierre, Andrea Piserchia, Simona Torrengo, Serge Gambarelli, Daniel Abergel, Antonino Polimeno, Didier Gasparutto, Giuseppe Sicoli
Intrinsic Flexibility beyond the Highly Ordered DNA Tetrahedron: An Integrative Spectroscopic and Molecular Dynamics Approach. The journal of physical chemistry letters (2023)
Riccardo Cortivo, Jonathan Campeggio, Mirco Zerbetto
A multiscale approach to coupled nuclear and electronic dynamics. II. Exact and approximated evaluation of nonradiative transition rates. The Journal of chemical physics 158 (24) (2023)
Jonathan Campeggio, Riccardo Cortivo, Mirco Zerbetto
A multiscale approach to coupled nuclear and electronic dynamics. I. Quantum-stochastic Liouville equation in natural internal coordinates. The Journal of chemical physics 158 (24) (2023)
Daniel Abergel, Antonino Polimeno, Mirco Zerbetto
Analysis of Velocity Autocorrelation Functions from Molecular Dynamics Simulations of a Small Peptide by the Generalized Langevin Equation with a Power-Law Kernel. The journal of physical chemistry. B (2023)
Sergio Rampino, Mirco Zerbetto, Antonino Polimeno
The roto-conformational diffusion tensor as a tool to interpret molecular flexibility. Physical chemistry chemical physics : PCCP (2023)
Jonathan Campeggio, Victor Volkov, Massimo Innocenti, Walter Giurlani, Fontanesi Claudio, Mirco Zerbetto, Marco Pagliai, Alessandro Lavacchi, Riccardo Chelli
Ethanol electro-oxidation reaction on the Pd(111) surface in alkaline media: insights from quantum and molecular mechanics. Physical chemistry chemical physics : PCCP 24 (20) (2022)
Marco Bortoli, Jonathan Campeggio, Laura Orian, Mirco Zerbetto, Antonino Polimeno
Parameter free evaluation of S N 2 reaction rates for halide substitution in halomethane. Physical chemistry chemical physics : PCCP 24 (12) (2022)
Sergio Rampino, Mirco Zerbetto, Antonino Polimeno
Stochastic Modelling of 13C NMR Spin Relaxation Experiments in Oligosaccharides. Molecules (Basel, Switzerland) 26 (9) (2021)
Mirco Zerbetto, Antonino Polimeno, Göran Widmalm
Glycosidic linkage flexibility: The ψ torsion angle has a bimodal distribution in α-L-Rhap-(1→2)-α-L-Rhap-OMe as deduced from 13C NMR spin relaxation. The Journal of chemical physics 152 (3) (2020)
Netanel Mendelman, Mirco Zerbetto, Matthias Buck, Eva Meirovitch
Conformational Entropy from Mobile Bond Vectors in Proteins: A Viewpoint that Unifies NMR Relaxation Theory and Molecular Dynamics Simulation Approaches. The journal of physical chemistry. B 124 (42) (2020)
Netanel Mendelman, Mirco Zerbetto, Matthias Buck, Eva Meirovitch
Local Ordering at the N-H Sites of the Rho GTPase Binding Domain of Plexin-B1: Impact of Dimerization. The journal of physical chemistry. B 123 (38) (2019)
Riccardo Brandiele, Mirco Zerbetto, Maria Chiara Dalconi, Gian Andrea Rizzi, Abdirisak Ahmed Isse, Christian Durante, Armando Gennaro
Mesoporous Carbon with Different Density of Thiophenic-Like Functional Groups and Their Effect on Oxygen Reduction. ChemSusChem 12 (18) (2019)
Oren Tchaicheeyan, Netanel Mendelman, Mirco Zerbetto, Eva Meirovitch
Local Ordering at Mobile Sites in Proteins: Combining Perspectives from NMR Relaxation and Molecular Dynamics. The journal of physical chemistry. B 123 (13) (2019)
Mirco Zerbetto, Thibault Angles d'Ortoli, Antonino Polimeno, Göran Widmalm
Differential Dynamics at Glycosidic Linkages of an Oligosaccharide as Revealed by 13C NMR Spin Relaxation and Stochastic Modeling. The journal of physical chemistry. B 122 (8) (2018)
Jonathan Campeggio, Antonino Polimeno, Mirco Zerbetto
DiTe2: Calculating the diffusion tensor for flexible molecules. Journal of computational chemistry 40 (4) (2018)
Marcello Righetto, Alberto Privitera, Ilaria Fortunati, Dario Mosconi, Mirco Zerbetto, M Lucia Curri, Michela Corricelli, Alessandro Moretto, Stefano Agnoli, Lorenzo Franco, Renato Bozio, Camilla Ferrante
Spectroscopic Insights into Carbon Dot Systems. The journal of physical chemistry letters 8 (10) (2017)