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How Accurately Can DFT Describe Non-valence Anions?
J Chem Theory Comput. 2023 May 23;19(10):2842-2849. doi: 10.1021/acs.jctc.3c00099. Epub 2023 Apr 27.
J Chem Theory Comput. 2023.
PMID: 37104716
Experimental and Theoretical Studies of Dissociative Electron Attachment to Metabolites Oxaloacetic and Citric Acids.
Kopyra J, Wierzbicka P, Tulwin A, Thiam G, Bald I, Rabilloud F, Abdoul-Carime H.
Kopyra J, et al. Among authors: thiam g.
Int J Mol Sci. 2021 Jul 18;22(14):7676. doi: 10.3390/ijms22147676.
Int J Mol Sci. 2021.
PMID: 34299296
Free PMC article.
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Multi-Basis-Set (TD-)DFT Methods for Predicting Electron Attachment Energies.
Thiam G, Rabilloud F.
Thiam G, et al.
J Phys Chem Lett. 2021 Oct 21;12(41):9995-10001. doi: 10.1021/acs.jpclett.1c02980. Epub 2021 Oct 7.
J Phys Chem Lett. 2021.
PMID: 34618456
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