43 citations · 77 across the 3 of their papers we have counts for
4 papers
Gliding on ice in search of accurate and cost-effective computational methods for astrochemistry on grains: the puzzling case of the HCN isomerization
Carmen Baiano, Jacopo Lupi, Vincenzo Barone +1
The isomerization of hydrogen cyanide to hydrogen isocyanide on icy grain surfaces is investigated by an accurate composite method (jun-Cheap) rooted in the coupled cluster ansatz…
Development and validation of a parameter-free model chemistry for the computation of reliable reaction rates
Vincenzo Barone, Jacopo Lupi, Zoi Salta +1
A recently developed model chemistry (jun-Cheap) has been slightly modified and proposed as an effective, reliable and parameter-free scheme for the computation of accurate reactio…
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 +2
The gas-phase formation and spectroscopic characteristics of ethanimine have been re-investigated as a paradigmatic case illustrating the accuracy of state-of-the-art quantum-chemi…
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
C. Puzzarini, Z. Salta, N. Tasinato +3
Despite the fact that the majority of current models assume that interstellar complex organic molecules (iCOMs) are formed on dust-grain surfaces, there is some evidence that neutr…