𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Diatomics-in-molecules potential energy surfaces of (FHH)+

✍ Scribed by F. Schneider; R. Polák; J. Vojtík

Publisher
Elsevier Science
Year
1985
Tongue
English
Weight
790 KB
Volume
99
Category
Article
ISSN
0301-0104

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Approximate diatomics-in-molecules poten
Approximate diatomics-in-molecules potential energy surfaces and non-adiabatic coupling for He+ + H2
✍ F. Schneider; L. Zülicke 📂 Article 📅 1979 🏛 Elsevier Science 🌐 English ⚖ 367 KB

The method of diatomics-in-molecules (DIM) which constructs the hamiltonian matrix semi-empirically from known atomic and diatomic fragment energy data, is used to generate approximate 3D potential energy hypersurfaces and nonadiabatic coupling coefficients for the system (HeHH) +. To reduce the siz

On the fragmentation dynamics of NH3 → N
On the fragmentation dynamics of NH3 → NH2 + H. II. Diatomics-in-molecules potential energy surfaces
✍ Rudolf Polák; Ivana Paidarová; Philip J. Kuntz 📂 Article 📅 1997 🏛 John Wiley and Sons 🌐 English ⚖ 271 KB 👁 2 views

The earlier developed diatomics-in-molecules DIM model structure for ammonia is used to design a model potential energy surface describing the hydrogen ãbstraction from H᎐NH in the A state. The adequate model representation of the 2 dissociation process serves to illustrate that even a DIM model of