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Author(s):   Campomanes, P.; Menendez, I.; Sordo, T.L.
Title:   A Theoretical Study of the 2NCO + 2OH Reaction
Journal:   J. Phys. Chem. A
Volume:   105
Page(s):   229 - 237
Year:   2001
Reference type:   Journal article
Squib:   2001CAM/MEN229-237

Reaction:   ·OH + NCO → O(3P) + HO-C≡N
Reaction order:   2
Temperature:   298 - 1500 K
Rate expression:   no rate data available
Category:  Theory
Data type:   Mechanistic information only
Comments:   DFT calculations of free energies of transition states and stable intermediates at 298.15 K, 1000 K, and 1500 K.

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