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.

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.