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New prebiotic molecules in the interstellar medium from the reaction between vinyl alcohol and CN radicals: unsupervised reaction mechanism discovery, accurate electronic structure calculations and kinetic simulations.
Phys Chem Chem Phys. 2023 Aug 30;25(34):22840-22850. doi: 10.1039/d3cp02571c.
Phys Chem Chem Phys. 2023.
PMID: 37584420
Local charge-displacement analysis: Targeting local charge-flows in complex intermolecular interactions.
Nottoli G, Ballotta B, Rampino S.
Nottoli G, et al. Among authors: ballotta b.
J Chem Phys. 2022 Aug 28;157(8):084107. doi: 10.1063/5.0095142.
J Chem Phys. 2022.
PMID: 36050039
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