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The QCT calculation of the rate constants for the N(4S)+O2(X3Σg−) →NO(X2

✍ Scribed by Jianfeng He; Jing Li


Publisher
Springer
Year
2007
Tongue
English
Weight
235 KB
Volume
43
Category
Article
ISSN
0259-9791

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📜 SIMILAR VOLUMES


Variational transition state rate consta
✍ N. Balakrishnan; G.D. Billing 📂 Article 📅 1995 🏛 Elsevier Science 🌐 English ⚖ 447 KB

Rate constants for the reaction O(3p)+ O3 (IAI) --, 202 (X 32g ) are reported using variational transition state theory. A semi-empirical potential energy surface based on a double many-body expansion method due to Varandas and Pais is used to obtain transition state information. The computed rate c

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Characterization of the minimum energy p
✍ Stephen P. Walch 📂 Article 📅 1993 🏛 Elsevier Science 🌐 English ⚖ 399 KB

Previous work by Manaa and Yarkony has characterized the doublet-quartet crossing region for the title reaction. In the present work, the minimum energy pathways for addition of CH(%) to Nz on the doublet surface and for dissociation of HCNN to HCN+N(S) on the quartet surface are characterized using