𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Ab initio study of the potential energy surfaces for the reaction N(4Su +CH(X 2IIr) → CN(X 2Σ+, A 2IIi + H(2Sg)

✍ Scribed by M.T. Rayez; Ph. Halvick; J.C. Rayez; Ph. Millié; B. Lévy

Book ID
107942897
Publisher
Elsevier Science
Year
1994
Tongue
English
Weight
987 KB
Volume
188
Category
Article
ISSN
0301-0104

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Ab initio potential energy surfaces for
Ab initio potential energy surfaces for studying the quenching of CH(A 2Δ) by H2(X 1Σg+)
✍ Alice Vegiri; Stavros C. Farantos 📂 Article 📅 1990 🏛 Elsevier Science 🌐 English ⚖ 633 KB

The mechanism of electronic quenching of the A 2A state of CH by ground-state H, is qualitatively investigated by calculating the appropriate potential energy surfaces. It is shown that the appearance of an early potential barrier of 0.15 eV and of a late barrier of 0.6 eV on the potential energy su

An AB initio study of the potential surf
An AB initio study of the potential surface for the reaction H2CN+H2 → HCH+H + H2
✍ Svein Sæbø 📂 Article 📅 1977 🏛 Elsevier Science 🌐 English ⚖ 364 KB

The poteniiaI surface for the reaction H,CN+H\* -HCN+H + Hz has been studieu by ab initio SCF calculations, using gaussian-type basis functions. A saddle point on the surface has been found, and a reaction path is proposed to explain the observed reIease tii kinetic energy.