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Dialing in on pharmacological features for a therapeutic antioxidant small molecule.
Dalton Trans. 2019 Sep 7;48(33):12430-12439. doi: 10.1039/c9dt01800j. Epub 2019 Jul 25.
Dalton Trans. 2019.
PMID: 31342985
Free PMC article.
Comparison of direct dynamics simulations with different electronic structure methods. F(-) + CH3I with MP2 and DFT/B97-1.
Sun R, Davda CJ, Zhang J, Hase WL.
Sun R, et al. Among authors: davda cj.
Phys Chem Chem Phys. 2015 Jan 28;17(4):2589-97. doi: 10.1039/c4cp03589e. Epub 2014 Dec 10.
Phys Chem Chem Phys. 2015.
PMID: 25494478
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