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The F−+CH3I→FCH3+I− entrance channel potential energy surface

✍ Scribed by Sun, Rui; Xie, Jing; Zhang, Jiaxu; Hase, William L.


Book ID
122179768
Publisher
Elsevier Science
Year
2015
Tongue
English
Weight
471 KB
Volume
377
Category
Article
ISSN
1387-3806

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Potential energy surfaces for rotational
✍ Satoshi Yabushita; Keiji Morokuma 📂 Article 📅 1988 🏛 Elsevier Science 🌐 English ⚖ 389 KB

Potential energy surfaces of low-lying excited states of CH,I have been calculated for symmetric (C,, ) and bent (C,) dissociation using the ab initio Cl method with the effective spin-orbit Hamiltonian. A small but significant bending torque arises for the A' surfaces near the 3E-2A, conical inters