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Ab Initio Studies on the Dynamical Properties of the Reaction NH(X 3 Σ - ) + H → N( 4 S) + H 2

✍ Scribed by Xu, Zhen-Feng; Fang, De-Cai; Fu, Xiao-Yuan

Book ID
121872106
Publisher
American Chemical Society
Year
1997
Tongue
English
Weight
148 KB
Volume
101
Category
Article
ISSN
1089-5639

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✍ Song Ye; Shushan Dai 📂 Article 📅 1996 🏛 John Wiley and Sons 🌐 English ⚖ 392 KB 👁 2 views

The reaction Y + + NH, + Y'NH + H, was theoretically investigated by ab initio MO methods. Two possible pathways (1-1 H, loss and 1-2 H, loss) on the singlet potential energy surface and reaction mechanism were examined and discussed. The singlet and triplet PESs of this reaction system were compare