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A method for designing a novel class of gold-containing molecules.
Celaya CA , Orozco-Ic M , Dimitrova M , Wirz LN , Sundholm D . Celaya CA , et al. Among authors: dimitrova m. Chem Commun (Camb). 2020 May 18;56(40):5433-5436. doi: 10.1039/d0cc01227k. Epub 2020 Apr 14. Chem Commun (Camb). 2020. PMID: 32292960
Benchmarking Magnetizabilities with Recent Density Functionals.
Lehtola S, Dimitrova M, Fliegl H, Sundholm D. Lehtola S, et al. Among authors: dimitrova m. J Chem Theory Comput. 2021 Mar 9;17(3):1457-1468. doi: 10.1021/acs.jctc.0c01190. Epub 2021 Feb 18. J Chem Theory Comput. 2021. PMID: 33599491 Free PMC article.
Spatial Contributions to Nuclear Magnetic Shieldings.
Jinger RK, Fliegl H, Bast R, Dimitrova M, Lehtola S, Sundholm D. Jinger RK, et al. Among authors: dimitrova m. J Phys Chem A. 2021 Mar 4;125(8):1778-1786. doi: 10.1021/acs.jpca.0c10884. Epub 2021 Feb 19. J Phys Chem A. 2021. PMID: 33605721 Free PMC article.
246 results