146 citations · 416 across the 15 of their papers we have counts for
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The junChS and junChS-F12 models: parameter-free efficient yet accurate composite schemes for energies and structures of non-covalent complexes
Jacopo Lupi, Silvia Alessandrini, Cristina Puzzarini +1
A recently developed model chemistry (denoted as junChS [Alessandrini et al J. Chem. Theory Comput. 2020, 16, 988-1006]) has been extended to the employment of explicitly-correlate…
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 +1
The atmospheric reaction of HS with Cl has been reinvestigated to check if, as previously suggested, only explicit dynamical computations can lead to an accurate evaluation of…
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…