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2018 2
2020 2
2021 1
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Page 1
The first microsolvation step for furans: New experiments and benchmarking strategies.
Gottschalk HC, Poblotzki A, Fatima M, Obenchain DA, Pérez C, 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, Krasowska M, Kröger LC, Leonhard K, Mogren Al-Mogren M, Mouhib H, Neese F, Pereira MN, Prakash M, Ulusoy IS, Mata RA, Suhm MA, Schnell M. Gottschalk HC, et al. J Chem Phys. 2020 Apr 30;152(16):164303. doi: 10.1063/5.0004465. J Chem Phys. 2020. PMID: 32357787
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. J Chem Phys. 2018 Jan 7;148(1):014301. doi: 10.1063/1.5009011. J Chem Phys. 2018. PMID: 29306273 Free article.