TY - JOUR U1 - Zeitschriftenartikel, wissenschaftlich - begutachtet (reviewed) A1 - Kirschner, Karl N. A1 - Reith, Dirk A1 - Heiden, Wolfgang T1 - The performance of Dunning, Jensen, and Karlsruhe basis sets on computing relative energies and geometries JF - Soft Materials KW - Basis set KW - complete basis set limit KW - water dimer KW - propan-2-ol KW - mp2 SN - 1539-445X SS - 1539-445X U6 - https://doi.org/10.1080/1539445x.2020.1714656 DO - https://doi.org/10.1080/1539445x.2020.1714656 VL - 18 IS - 2-3 SP - 200 EP - 214 S1 - 15 PB - Informa UK ER -