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On the kinetic mechanism of the reaction of NH2with O2in O-, H-, and N-containing flames. 1. Kinetic parameters of the NH2+O2=NHO+OH reaction

✍ Scribed by N. E. Ermolin; O. P. Korobeinichev; V. M. Fomin

Publisher: SP MAIK Nauka/Interperiodica
Year: 1994
Tongue: English
Weight: 403 KB
Volume: 30
Category: Article
ISSN: 0010-5082
DOI: 10.1007/bf00787886

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## Abstract The kinetics of the hydrogen abstraction from H~2~O~2~ by ^•^OH has been modeled with MP2/6‐31G\*//MP2/6‐31G\*, MP2‐SAC//MP2/6‐31G\*, MP2/6‐31+G\*\*//MP2/6‐31+G\*\*, MP2‐SAC// MP2/6‐31+G\*\*, MP4(SDTQ)/6‐311G\*\*//MP2/6‐31G\*, CCSD(T)/6‐31G\*//CCSD(T)/6‐31G\*, CCSD(T)/6‐31G\*\*//CCSD(T)