𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Ab initioCalculations of the potential energy surface of the reaction of singlet methylene with the hydrogen molecule

✍ Scribed by Herbert Kollmar; Volker Staemmler


Publisher
Springer
Year
1979
Tongue
English
Weight
525 KB
Volume
51
Category
Article
ISSN
1432-2234

No coin nor oath required. For personal study only.


πŸ“œ SIMILAR VOLUMES


Ab initio potential energy surfaces for
✍ John A. Harrison; Robert G.A.R. Maclagan πŸ“‚ Article πŸ“… 1989 πŸ› Elsevier Science 🌐 English βš– 310 KB

Optimised geometries and harmonic vibrational frequencies for possible products and intermediates of the reaction of BH2 with NO, calculated at the HF/6-31G\* level of theory, are presented. Energies calculated using these optimised geometries at the HF, MP2 and MP4SDQ levels of theory are given.