Monte Carlo sampling methods for determining potential energy surfaces using Shepard interpolation. The O(1D)+H2 system

Quasiclassical and capture studies on th

Quasiclassical and capture studies on the O (1D) + H2 → OH + H reaction using a new potential energy surface for H2O

✍ João Brandão; Carolina M.A. Rio 📂 Article 📅 2003 🏛 Elsevier Science 🌐 English ⚖ 252 KB

In absence of energy barrier, the long-range interactions between reactants should play an important role on the dynamics of the reaction of O ð 1 DÞ with H 2 that mainly occurs in the ground state potential energy surface for H 2 O. Quasiclassical and capture studies on a new potential energy surfa