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Benchmark experiments for numerical quantum chemistry.
Mata RA, Zehnacker-Rentien A, Suhm MA. Mata RA, et al. Phys Chem Chem Phys. 2023 Oct 11;25(39):26415-26416. doi: 10.1039/d3cp90186f. Phys Chem Chem Phys. 2023. PMID: 37753850 No abstract available.
The last globally stable extended alkane.
Lüttschwager NO, Wassermann TN, Mata RA, Suhm MA. Lüttschwager NO, et al. Among authors: mata ra. Angew Chem Int Ed Engl. 2013 Jan 2;52(1):463-6. doi: 10.1002/anie.201202894. Epub 2012 Aug 21. Angew Chem Int Ed Engl. 2013. PMID: 22907923
The furan microsolvation blind challenge for quantum chemical methods: First steps.
Gottschalk HC, Poblotzki A, Suhm MA, Al-Mogren MM, Antony J, Auer AA, Baptista L, Benoit DM, Bistoni G, Bohle F, Dahmani R, Firaha D, Grimme S, Hansen A, Harding ME, Hochlaf M, Holzer C, Jansen G, Klopper W, Kopp WA, Kröger LC, Leonhard K, Mouhib H, Neese F, Pereira MN, Ulusoy IS, Wuttke A, Mata RA. Gottschalk HC, et al. Among authors: mata ra. J Chem Phys. 2018 Jan 7;148(1):014301. doi: 10.1063/1.5009011. J Chem Phys. 2018. PMID: 29306273 Free article.
99 results