Small-curvature adiabatic approximation for reaction-path reduced-dimensionality effective Hamiltonian

Effects of reaction path curvature on re

Effects of reaction path curvature on reaction dynamics and rates: Reaction path Hamiltonian calculations for gas-phase SN2 reaction Cl−+CH3Cl

✍ Yoshishige Okuno 📂 Article 📅 1998 🏛 John Wiley and Sons 🌐 English ⚖ 239 KB 👁 2 views

To obtain essential information on the reaction dynamics for the prototype gas-phase S 2 reaction Cl y q CH Cl ª ClCH q Cl y , the characteristic N 3 3 features of the potential energy surface in the local region around the reaction path were examined by the reaction path Hamiltonian constructed wit