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New Generation UV-A Filters: Understanding Their Photodynamics on a Human Skin Mimic.
Abiola TT, Rodrigues NDN, Ho C, Coxon DJL, Horbury MD, Toldo JM, do Casal MT, Rioux B, Peyrot C, Mention MM, Balaguer P, Barbatti M, Allais F, Stavros VG. Abiola TT, et al. Among authors: barbatti m. J Phys Chem Lett. 2021 Jan 14;12(1):337-344. doi: 10.1021/acs.jpclett.0c03004. Epub 2020 Dec 22. J Phys Chem Lett. 2021. PMID: 33353308 Free article.
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.
A three-state model for the photo-Fries rearrangement.
Toldo JM, Barbatti M, Gonçalves PFB. Toldo JM, et al. Among authors: barbatti m. Phys Chem Chem Phys. 2017 Jul 26;19(29):19103-19108. doi: 10.1039/c7cp03777e. Phys Chem Chem Phys. 2017. PMID: 28702556
Nonadiabatic Excited-State Dynamics with Machine Learning.
Dral PO, Barbatti M, Thiel W. Dral PO, et al. Among authors: barbatti m. J Phys Chem Lett. 2018 Oct 4;9(19):5660-5663. doi: 10.1021/acs.jpclett.8b02469. Epub 2018 Sep 13. J Phys Chem Lett. 2018. PMID: 30200766 Free PMC article.
144 results