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. 2021 Apr 9;125(15):3177–3188. doi: 10.1021/acs.jpca.1c01650

Figure 3.

Figure 3

Effects of multi-structural anharmonicity (a) and multi-structural torsional anharmonicity (b) in reactions R-H5, R-H10, R-H11, and R-H114 as a function of temperature at the M06-2X/aug-cc-pVQZ//M06-2X/cc-pVTZ level.