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. 2023 Jun 29;19(20):6859–6890. doi: 10.1021/acs.jctc.3c00347

Figure 8.

Figure 8

Total wall times for SCF and NMR calculations with respect to the number of glucose units (6-31G* basis). Wall times were measured on a single thread of an Intel Xeon Gold 6212U CPU (2.40 GHz). Reprinted with permission from ref (63). Copyright 2021 the Authors.