A dim calculation of three-dimensional potential-energy surfaces for X3 systems (X  F, Br, I)

Theoretical study of X + H2 → XH + H and

Theoretical study of X + H2 → XH + H and reverse reactions (X = F, Cl, Br, I) using a new empirical potential energy surface

✍ G. Lendvay; B. László; T. Bérces 📂 Article 📅 1987 🏛 Elsevier Science 🌐 English ⚖ 353 KB

A method for constructing empirical potential surfaces is proposed which is based on the BSBL (bond-strength-bond-length) treatment originally developed to predict kinetic parameters for atom transfer reactions. Quasiclassical trajectory results for X + H+HX + H (X = F, Cl, Br, I) and the reverse re