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A Density Functional Theory for the Average Electron Energy.
Racioppi S, Lolur P, Hyldgaard P, Rahm M. Racioppi S, et al. Among authors: rahm m. J Chem Theory Comput. 2023 Feb 14;19(3):799-807. doi: 10.1021/acs.jctc.2c00899. Epub 2023 Jan 24. J Chem Theory Comput. 2023. PMID: 36693279 Free PMC article.
Control of the ambident reactivity of the nitrite ion.
Dong H, Rahm M, Thota N, Deng L, Brinck T, Ramström O. Dong H, et al. Among authors: rahm m. Org Biomol Chem. 2013 Jan 28;11(4):648-53. doi: 10.1039/c2ob26980e. Epub 2012 Dec 5. Org Biomol Chem. 2013. PMID: 23223642
Electronegativity Equilibration.
Sessa F, Rahm M. Sessa F, et al. Among authors: rahm m. J Phys Chem A. 2022 Aug 18;126(32):5472-5482. doi: 10.1021/acs.jpca.2c03814. Epub 2022 Aug 8. J Phys Chem A. 2022. PMID: 35939052 Free PMC article.
138 results