𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Theoretical studies of the radical reaction H2CSiH2 + H

✍ Scribed by Shogo Sakai; Mark S. Gordon


Publisher
Elsevier Science
Year
1986
Tongue
English
Weight
351 KB
Volume
123
Category
Article
ISSN
0009-2614

No coin nor oath required. For personal study only.

✦ Synopsis


Ab initio molecular orbltal calculations on the transitton states and barrter heights for the addition of atomtc hydrogen to sllaethylene are carried out. The activation energy for the addition to the silicon site is lower than that to the carbon site, wlnle the exothermicity 1s smaller.


📜 SIMILAR VOLUMES


Theoretical and kinetic study of the H +
✍ Jingyu Sun; Yizhen Tang; Hao Sun; Xiujuan Jia; Xiumei Pan; Rongshun Wang 📂 Article 📅 2009 🏛 John Wiley and Sons 🌐 English ⚖ 374 KB 👁 2 views

## Abstract The reaction of H radical with C~2~H~5~CN has been studied using various quantum chemistry methods. The geometries were optimized at the B3LYP/6‐311+G(d,p) and B3LYP/6‐311++G(2d,2p) levels. The single‐point energies were calculated using G3 and BMC‐CCSD methods based on B3LYP/6‐311++G(2

A theoretical study of the reaction of H
✍ del R�o, E.; L�pez, R.; Men�ndez, M. I.; Sordo, T. L. 📂 Article 📅 2000 🏛 John Wiley and Sons 🌐 English ⚖ 213 KB 👁 2 views

A theoretical study was performed for the reaction of formyl cation and acetylene to give C 3 H + 3 + O in flames and C 2 H + 3 (nonclassical) + CO, both in flames and in interstellar clouds. The corresponding Potential Energy Surface (PES) was studied at the B3LYP/cc-pVTZ level of theory, and singl

High Resolution Infrared Study of the ν1
✍ F. Hegelund; H. Burger; O. Polanz 📂 Article 📅 1995 🏛 Elsevier Science 🌐 English ⚖ 524 KB

The lowest fundamental level \(v_{11}\) in \(2-{ }^{13} \mathrm{C}\) allene, \(\mathrm{H}_{2} \mathrm{C}=-{ }^{13} \mathrm{C}-\mathrm{CH}_{2}\), has been studied from a high resolution infrared spectrum of the \(v_{11}\) band together with lower state combination differences obtained from high resol