Decomposition dynamics of interstellar HCNH: Ab-initio MO and RRKM studies
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چکیده
منابع مشابه
Thermal Decomposition of Ethanol . 1 . Ab Initio MO / RRKM Prediction of Rate Constant and Product Branching Ratios
The unimolecular decomposition of CH3CH2OH has been investigated at the G2M (RCC2) level of theory. The decomposition reaction was found to be dependent strongly on pressure and temperature. Among the 8 product channels identified, the H2O-elimination process (1) via a four-member-ring transition state is dominant below 10 atm in the temperature range of 700 – 2500 K. At the high – pressure lim...
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ژورنال
عنوان ژورنال: Astronomy & Astrophysics
سال: 2002
ISSN: 0004-6361,1432-0746
DOI: 10.1051/0004-6361:20021508