𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Stationary Points on the Ground-State Potential Energy Surface of Dimethyldiazene. Isomerization and Decomposition in Competition

✍ Scribed by Vrábel, Imrich; Biskupič, Stanislav; Staško, Andrej


Book ID
126824792
Publisher
American Chemical Society
Year
1997
Tongue
English
Weight
238 KB
Volume
101
Category
Article
ISSN
1089-5639

No coin nor oath required. For personal study only.


📜 SIMILAR VOLUMES


Stationary points on the potential energ
✍ Jesus P. Lopez 📂 Article 📅 1989 🏛 John Wiley and Sons 🌐 English ⚖ 674 KB

The determination of minima and saddle points on the potential energy surfaces of the hydrogen bonded species 02-HF and 0,-H20 is performed with unrestricted Hartree-Fock calculations. Geometries, electron density distributions, and relative energies for every stationary point are reported. Only one

Comment on “potential energy surfaces of
✍ Jeffrey A. Joens 📂 Article 📅 1994 🏛 Elsevier Science 🌐 English ⚖ 184 KB

The suggestion by Banichevich, Peyerimhoff, and Grien (Chem. Phys. 178 ( 1993) 155) that two weak absorption bands of ozone previously assigned as belonging to the Huggins system might be members of the Chappuis system is shown to be contrary to available evidence. The original assignment of these b

Decomposition pathways of carbonofluoroc
✍ J.S. Francisco 📂 Article 📅 1989 🏛 Elsevier Science 🌐 English ⚖ 359 KB

Ab initio molecular orbital calculations have been used to explore decomposition pathways of carbonofluorochloridic acid, FC(O)OCl. Results from this study suggest that the isolated FC (0)OCl molecule IS a stable species with respect to unimolecular dissociation. Transition states and barriers from