With the current model for solvation, ε and κ thus lose their physical significance as pure-component parameters, and instead become fittable binary interaction parameters. It is thus not clear whether the improved accuracy of the solvation approach is due to a physically more correct model, or...
On the significance of the trigger reaction in the action of the calicheamicin γI1 anti-cancer drug. Theor. Chem. Acta 1997, 97, 203–210. [17] (a) Cramer, C. J.; Nash. J. J.; Squires, R. R. A reinvestigation of singlet benzyne thermo- chemistry predicted by CASPT2, coupled-...