Table 6.
Contribution | bR | K | L | M2 | M22 |
---|---|---|---|---|---|
ΔGQQ | − 73 | − 75 | − 76 | − 70 | − 69 |
ΔGsol | − 34 | − 43 | − 42 | − 37 | − 39 |
ΔGelec | − 107 | − 118 | − 118 | − 107 | − 108 |
Energies in kcal/mol. ΔGQQ and ΔGsol designate the LRA contributions from the gas-phase charge-charge ion pair interaction (between SBH+ and Asp−), and the generalized solvation of the ion pair by its proton environment.