Transition states for the two probable pathways for the gas-phase hydrolysis of hydrogen isocyanate have been determined using the MIND013 method. Activation barriers obtained showed that the one-step mechanism is preferred to the two-step mechanism involving an intermediate. It was shown that the r
Theoretical studies on the reaction of pentafulvenone with water in gas phase and aqueous solvent
β Scribed by Y. Liu; X. M. Pan; Z. S. Li; X. J. Jia; S. Li; R. S. Wang; C. C. Sun
- Publisher
- Springer
- Year
- 2007
- Tongue
- English
- Weight
- 588 KB
- Volume
- 118
- Category
- Article
- ISSN
- 1432-2234
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