Reliable Gas Phase Reaction Rates at Affordable Cost by Means of the Parameter-Free JunChS-F12 Model Chemistry

por Barone, Vincenzo, Lupi, Jacopo, Salta, Zoi, Tasinato, Nicola
Publicado 2023

State-of-the-Art Quantum Chemistry Meets Variable Reaction Coordinate Transition State Theory to Solve the Puzzling Case of the H(2)S + Cl System

por Lupi, Jacopo, Puzzarini, Cristina, Cavallotti, Carlo, Barone, Vincenzo
Publicado 2020

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

por Barone, Vincenzo, Lupi, Jacopo, Salta, Zoi, Tasinato, Nicola
Publicado 2021

Gliding on Ice in Search of Accurate and Cost-Effective Computational Methods for Astrochemistry on Grains: The Puzzling Case of the HCN Isomerization

por Baiano, Carmen, Lupi, Jacopo, Barone, Vincenzo, Tasinato, Nicola
Publicado 2022

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

por Baiano, Carmen, Lupi, Jacopo, Tasinato, Nicola, Puzzarini, Cristina, Barone, Vincenzo
Publicado 2020