Jacopo Lupi

Development and Validation of a Parameter-Free Model Chemistry for the Computation of Reliable Reaction Rates

Vincenzo Barone, Jacopo Lupi, Zoi Salta et al. · Scuola Normale Superiore di Pisa · 2021 · 46 citations · Full text

Engineering, Chemical Analysis, Computational Chemistry +20

JunChS and junChS-F12 Models: Parameter-free Efficient yet Accurate Composite Schemes for Energies and Structures of Noncovalent Complexes

Jacopo Lupi, Silvia Alessandrini, Cristina Puzzarini et al. · Archivio istituzionale della ricerca (Alma Mater Studiorum Università di Bologna) · 2021 · 45 citations · Full text

A twist on the reaction of the CN radical with methylamine in the interstellar medium: new hints from a state-of-the-art quantum-chemical study

Cristina Puzzarini, Zoi Salta, Nicola Tasinato et al. · Monthly Notices of the Royal Astronomical Society · 2020 · 42 citations · Full text

State-of-the-Art Quantum Chemistry Meets Variable Reaction Coordinate Transition State Theory to Solve the Puzzling Case of the H₂S + Cl System

Jacopo Lupi, Cristina Puzzarini, Carlo Cavallotti et al. · Journal of Chemical Theory and Computation · 2020 · 39 citations · Full text

The Role of State-of-the-Art Quantum-Chemical Calculations in Astrochemistry: Formation Route and Spectroscopy of Ethanimine as a Paradigmatic Case

Carmen Baiano, Jacopo Lupi, Nicola Tasinato et al. · Molecules · 2020 · 32 citations · Full text