✦ LIBER ✦

Accurate energetics for the unimolecular decomposition of HN2

✍ Scribed by Stephen P. Walch; Harry Partridge

Publisher: Elsevier Science
Year: 1995
Tongue: English
Weight: 326 KB
Volume: 233
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(94)01471-7

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Computational study of the structure of

Computational study of the structure of dinitraminic acid, HN(NO2)2, and the energetics of some possible decomposition steps

✍ Peter Politzer; Jorge M. Seminario 📂 Article 📅 1993 🏛 Elsevier Science 🌐 English ⚖ 341 KB

MP2/6-3 lG\* geometric optimizations combined with non-local density functional energy calculations were used to determine the structure of dinitraminic acid, HN(N02)\*, and the energetics of several processes that may be involved in its decomposition. These include bond cleavage and also fragmentat

The thermal unimolecular decomposition o

The thermal unimolecular decomposition of bromocyclobutane

✍ Keith D. King; Robert G. Gilbert 📂 Article 📅 1980 🏛 John Wiley and Sons 🌐 English ⚖ 326 KB 👁 1 views

## Abstract The thermal unimolecular decomposition of bromocyclobutane has been investigated over the temperature range of 791–1224 K using the technique of very low‐pressure pyrolysis (VLPP). HBr elimination is the sole mode of decomposition under the experimental conditions. No evidence could be

On the thermal unimolecular decompositio

On the thermal unimolecular decomposition of propynal

✍ Ko Saito; Yumiko Mochizuki; Ichiro Yoshinobu; Akira Imamura 📂 Article 📅 1990 🏛 Elsevier Science 🌐 English ⚖ 374 KB

The thermal unimolecular decomposition of propynal was investigated behind reflected shock waves. The decomposition proceeded via the molecular path to produce acetylene and carbon monoxide. The Arrhenius expression for the high pressure rate constants is k, = 10'4.93 exp ( -7 1 kcal mol-'/RT) s-' i

The unimolecular decomposition of vibrat

The unimolecular decomposition of vibrationally excited 1-deuterio-1,1,2-trifluoroethane

✍ D. W. Follmer; G. O. Pritchard 📂 Article 📅 1974 🏛 John Wiley and Sons 🌐 English ⚖ 693 KB

A srudy has been made of the unimolecular decomposition of the vibrationally excited molecule CFZDCFHz\*, formed from the combination of CFzD and CFH? radicals. The a,B-elirnination channels lead to the products cisand trans-CFDCFH and CFzCHz and H(D)F. The a,a-elimination channel produces cisand tr

The pyrolysis of trimethylene sulfide. A

The pyrolysis of trimethylene sulfide. A unimolecular decomposition

✍ P. Jeffers; C. Dasch; S. H. Bauer 📂 Article 📅 1973 🏛 John Wiley and Sons 🌐 English ⚖ 328 KB

## Abstract The kinetics of decomposition of trimethylene sulfide to ethylene and thioformaldehyde was investigated in a single‐pulse shock tube using the «relative rate» technique. The extent of reaction was measured in the reflected shock regime from 860° to 1170°K, but experimental difficulties

Theoretical study on the unimolecular de

Theoretical study on the unimolecular decomposition of thiophenol

✍ Ala'a H. Al-Muhtaseb; Mohammednoor Altarawneh; Mansour H. Almatarneh; Raymond A. 📂 Article 📅 2011 🏛 John Wiley and Sons 🌐 English ⚖ 567 KB

## Abstract The potential energy surface for the unimolecular decomposition of thiophenol (C~6~H~5~SH) is mapped out at two theoretical levels; BB1K/GTlarge and QCISD(T)/6‐311+G(2d,p)//MP2/6‐31G(d,p). Calculated reaction rate constants at the high pressure limit indicate that the major initial chan