𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Diatomics-in-molecules potential energy surfaces of (HeH2)+: An extended basis set calculation

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

Publisher
Elsevier Science
Year
1983
Tongue
English
Weight
780 KB
Volume
76
Category
Article
ISSN
0301-0104

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Diatomics-in-molecules calculation of th
Diatomics-in-molecules calculation of the potential energy surfaces relevant to penning ionization in the He(2 3S)H2 system
✍ J. Vojtík; I. Pajdarová 📂 Article 📅 1982 🏛 Elsevier Science 🌐 English ⚖ 386 KB

## Potcntulenergysurfxesnnd thcnutororuzattonwrdthforthcPenrung1oluzationtr~rllonHe(Z~S)+H~~He+H2+ +ehave been cakulalcd usmg the DIM method. The surfxcs cornpam fwounbly wtb the eustmg ab UUIIO cakul~lrons, and the approuuncltton to the nutolonlzation wdth appcx to be rcclsonlblc.

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