Jacopo Lupi

Jacopo Lupi

Trinity College Dublin - Dublin / Ireland
Others
AD Scientific Index ID: 5967897
Coláiste na Tríonóide, Baile Átha Cliath, Ollscoil Bhaile Átha Cliath
person_outline Jacopo Lupi's MOST POPULAR ARTICLES
1-) Development and Validation of a Parameter-Free Model Chemistry for the Computation of Reliable Reaction RatesV Barone, J Lupi, Z Salta, N TasinatoJournal of Chemical Theory and Computation 17 (8), 4913-4928, 2021442021
2-) junChS and junChS-F12 Models: Parameter-free Efficient yet Accurate Composite Schemes for Energies and Structures of Noncovalent ComplexesJ Lupi, S Alessandrini, C Puzzarini, V BaroneJournal of Chemical Theory and Computation 17 (11), 6974-6992, 2021402021
3-) State-of-the-Art Quantum Chemistry Meets Variable Reaction Coordinate Transition State Theory to Solve the Puzzling Case of the H2S + Cl SystemJ Lupi, C Puzzarini, C Cavallotti, V BaroneJournal of Chemical Theory and Computation 16 (8), 5090–5104, 2020372020
4-) The Role of State-of-the-Art Quantum-Chemical Calculations in Astrochemistry: Formation Route and Spectroscopy of Ethanimine as a Paradigmatic CaseC Baiano, J Lupi, N Tasinato, C Puzzarini, V BaroneMolecules 25 (12), 2873, 2020362020
5-) 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 studyC Puzzarini, Z Salta, N Tasinato, J Lupi, C Cavallotti, V BaroneMonthly Notices of the Royal Astronomical Society 496 (4), 4298-4310, 2020322020