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CASPT2, CASSCF and non-adiabatic molecular dynamics (NAMD) studies on the low-lying electronic states of 1H-1,2,3-triazole photolysis.
Phys Chem Chem Phys. 2019 Nov 27;21(46):25809-25819. doi: 10.1039/c9cp04313f.
Phys Chem Chem Phys. 2019.
PMID: 31728466
From skin sensitizers to wastewater: the unknown photo-deactivation process of low-lying excited states of isothiazolinones. A non-adiabatic dynamics investigation.
de Araújo BB, Gonçalves PFB.
de Araújo BB, et al.
Phys Chem Chem Phys. 2024 Apr 15. doi: 10.1039/d4cp00998c. Online ahead of print.
Phys Chem Chem Phys. 2024.
PMID: 38619871
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