𝔖 Bobbio Scriptorium
✦   LIBER   ✦

MINDO/3 calculation of the potential energy surface for C3H5+ → C3H3+ + H2 as applied to understanding energy partitioning accompanying fragmentation

✍ Scribed by D.A. Krause; R.J. Day; W.L. Jorgensen; R.G. Cooks

Publisher
Elsevier Science
Year
1978
Weight
793 KB
Volume
27
Category
Article
ISSN
0020-7381

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Stationary points on the potential energ
Stationary points on the potential energy surface of (C2H2)3
✍ Richard G.A. Bone; Christopher W. Murray; Roger D. Amos; Nicholas C. Handy 📂 Article 📅 1989 🏛 Elsevier Science 🌐 English ⚖ 667 KB

A study of stationary points of interest on the surface of (CsHs)s in presented. Reported observations of splittings of lines in the infrared spectrum of the acetylene trimer suggest strongly that there are several conformations of interest that need to be identified. It is confirmed by ab initio ca

Potential Energy Surfaces for the Na(3p)
Potential Energy Surfaces for the Na(3p)N2, Na(3p)HCN and Na(3p)C2H2 Complexes: Ab Initio Calculations and Model Considerations
✍ Martin Jungen 📂 Article 📅 2001 🏛 John Wiley and Sons 🌐 German ⚖ 130 KB 👁 1 views

## Dedicated to Prof. Edgar Heilbronner on the occasion of his 80th birthday Motto: Hier kocht der Chef, kommen Sie dennoch! Highly correlated ab initio calculations for the potential-energy surfaces of the systems NaÀN 2 , NaÀHCN, and NaÀC 2 H 2 have been performed, where the Na atom is in the 3s

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.