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Event-by-event analysis of collision-induced cluster-ion fragmentation: sequential monomer evaporation versus fission reactions.
Gobet F, Farizon B, Farizon M, Gaillard MJ, Louc S, Gonçalves N, Barbatti M, Luna H, Jalbert G, de Castro Faria NV, Bacchus-Montabonel MC, Buchet JP, Carré M, Märk TD. Gobet F, et al. Among authors: barbatti m. Phys Rev Lett. 2001 May 7;86(19):4263-6. doi: 10.1103/PhysRevLett.86.4263. Phys Rev Lett. 2001. PMID: 11328150 Free article.
Fewest switches surface hopping with Baeck-An couplings.
T do Casal M, Toldo JM, Pinheiro M Jr, Barbatti M. T do Casal M, et al. Among authors: barbatti m. Open Res Eur. 2022 Mar 9;1:49. doi: 10.12688/openreseurope.13624.2. eCollection 2021. Open Res Eur. 2022. PMID: 37645211 Free PMC article.
Molecular excited states through a machine learning lens.
Dral PO, Barbatti M. Dral PO, et al. Among authors: barbatti m. Nat Rev Chem. 2021 Jun;5(6):388-405. doi: 10.1038/s41570-021-00278-1. Epub 2021 May 20. Nat Rev Chem. 2021. PMID: 37118026 Review.
MLatom 3: A Platform for Machine Learning-Enhanced Computational Chemistry Simulations and Workflows.
Dral PO, Ge F, Hou YF, Zheng P, Chen Y, Barbatti M, Isayev O, Wang C, Xue BX, Pinheiro M Jr, Su Y, Dai Y, Chen Y, Zhang L, Zhang S, Ullah A, Zhang Q, Ou Y. Dral PO, et al. Among authors: barbatti m. J Chem Theory Comput. 2024 Feb 13;20(3):1193-1213. doi: 10.1021/acs.jctc.3c01203. Epub 2024 Jan 25. J Chem Theory Comput. 2024. PMID: 38270978 Free PMC article.
144 results