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Author(s):   Wang, J.H.; Han, K.L.; He, G.Z.; Li, Z.J.; Morris, V.R.
Title:   Theoretical study of the C2(1Σg^+, 3Πu)+H2O reaction mechanism
Journal:   J. Phys. Chem. A
Volume:   107
Page(s):   9825 - 9833
Year:   2003
Reference type:   Journal article
Squib:   2003WAN/HAN9825-9833

Reaction:   H2O + C2 → CCOH2
Reaction order:   2
Rate expression:   no rate data available
Category:  Theory
Data type:   Ab initio
Comments:   No rate constants reported. Quantum barriers only. Calculated many different reaction channels for CC + H2O. Use CCSD(T)/6-311++G(d,pd) method. Many different channels calculated. Onlyl a few are identified here in this database.

CC + H2O
1) CCH + OH
2) CCOH2 (adduct)
3) HCCOH (ethynol)
4) H2CCO (ketene)5) c-H2COC (oxiranylidene?)
6) c-HCOCH (oxirene?)
7) c-COC + H2
8) CCO + H2
9) CO + CH2
10) CCOH + H
11) c-HCOC + H (oxirenyl?)
Do not see formylcarbene HC(O)CH: species in list (see 2003GIR/CHA10462-10470)

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