Gas-Phase Constants for Prompt NO

Gas-Phase Rate Constants^a in Prompt NO Reactions

1. L. V. Moskaleva and M. C. Lin, "The Spin-Conserved Reaction CH + N₂ → H + NCN: A Major Pathway to Prompt NO Studied by Quantum/Statistical Theory Calculations and Kinetic Modeling of Rate Constant", Proc. Combust. Intst., 28 (Part II), 2393-401 (2000).
2. L. V. Moskaleva, W. S. Xia and M. C. Lin, "The CH + N₂ Reaction over the Ground Electronic Doublet Potential Energy Surface: A Detailed Transition State Search", Chem. Phys. Lett. 331, 269-77 (2000).

3. Computational Study on the Energetics of NCN Isomers and the Kinetics of the C + N₂ = N + CN Reaction, L. V. Moskaleva and M. C. Lin, J. Phys. Chem. A. 105, 4156-63 (2001).

4. The CH + N₂ Association Reaction at Low Temperatures: Ab Initio MO/VRRKM-Theory Analysis of Temperature and Pressure Effects, L. V. Moskaleva and M. C. Lin, Z. Phys. Chem., 215, 1043-54 (2001).

5. "Reaction Mechanism and Kinetics of the NCN + NO Reaction: Comparison of Theory and Experiment", Chih-Liang Huang, Shiang Yang Tseng, Tzu Yi Wang, Niann S. Wang, Z. F. Xu and M. C. Lin, J. Chem. Phys, (2005), 122(18), 184321/1-184321/9.

6. "Ab initio study of the oxidation of NCN by O₂", R. S. Zhu and M. C. Lin, Int. J. Chem. Kinet., 37, 593-98 (2005).
7. Ab Initio Study on the Oxidation of NCN by O (³P): Prediction of the Total Rate Constant and Product Branching Ratios", R. S. Zhu and M. C. Lin, "J. Phys. Chem. A, 111, 6766-71 (2007).
8. "Ab initio chemical kinetics for the OH + HNCN reaction", S.C. Xu and M. C. Lin, J. Phys. Chem. A, 111, 6730-40 (2007).
9. "Ab initio chemical kinetics for the reactions of HNCN with O(³P) and O₂", Shucheng Xu and M. C. Lin, Proceedings of the Combustion Institute 32 (2009) 99-106.
10. "Kinetics and Mechanism of the NCN + NO₂ Reaction Studied by Experiment and Theory", Tsung-Ju Yang, Niann S. Wang, L. C. Lee, Z. F. Xu and M. C. Lin, J. Phys. Chem. A, (2008), 112(41), 10185-10192.
11. "Ab Initio Study on the Oxidation of NCN by OH: Prediction of the Total Rate Constant and Individual Rate Constants", R. S. Zhu, Hue M.T. Nguyen and M. C. Lin, J. Phys, Chem. A, (2009), 113(1), 298-304.
12. "Kinetics and Mechanism of the CN + NCO ® NCN + CO Reaction Studied by Experiment and Theory", Shiang-Yang Tzeng, Po-Hsueh Chen, Niann S. Wang, L. C. Lee, Z. F. Xu and M. C. Lin, J. Phys. Chem. A, (2009), 113(22), 6314-6325.