Theoretical Study of the Reaction of Si + with C 3 H 2
✍ Scribed by Redondo, Pilar; Sagüillo, Ana; Barrientos, Carmen; Largo, Antonio
- Book ID
- 126063504
- Publisher
- American Chemical Society
- Year
- 1999
- Tongue
- English
- Weight
- 147 KB
- Volume
- 103
- Category
- Article
- ISSN
- 1089-5639
No coin nor oath required. For personal study only.
📜 SIMILAR VOLUMES
Using ab initio calculations based on geometry optimizations at the MP2/DZ2P level various structural and bonding features of the Si3C 2 system have been investigated. The energies of the MP2 optimized structures are calculated using singles and doubles coupled cluster (CCSD) theory and the CCSD(T)
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