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(a) Two‐dimensional free energy surface (kcal mol−1) for the opening QSP→QMC/QMCH when bound to G4. The zero energy is set to the QSP minimum and each contour line represents a difference of 0.5 kcal mol−1. (b) Identified geometry (Z‐MCH+WAT) and optimized geometry of the Z‐MCH intermediate at RI‐MP2/def2‐TZVP level of theory in the gas phase.
