VARI, SIMONE
VARI, SIMONE
DIPARTIMENTO DI CHIMICA, MATERIALI E INGEGNERIA CHIMICA "GIULIO NATTA"
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A theoretical study of 1-propanol H-abstractions and successive reactivity
2025-01-01 Elliott, S. N.; Di Teodoro, M.; Vari, S.; Pratali Maffei, L.; Serinyel, Z.; Clement, O.; Gregoire, C.; Petersen, E. L.; Mathieu, O.; Dayma, G.; Cavallotti, C.
NN-VRCTST: Neural Network Potentials Meet Variable Reaction Coordinate Transition State Theory for the Rate Constant Determination of Barrierless Reactions
2025-01-01 Vari, Simone; De Falco, Carlo; Cavallotti, Carlo
Recombination of NH2 with alkyl radicals: VRC-TST rate constants from neural network potentials
2025-01-01 Vari, Simone; Cavallotti, Carlo