@article{oai:jaxa.repo.nii.ac.jp:00022683,
 author = {菅野, 望 and 谷, 洋海 and 大門, 優 and 寺島, 洋史 and 吉川, 典彦 and 越, 光男 and Kanno, Nozomu and Tani, Hiroumi and Daimon, Yu and Terashima, Hiroshi and Yoshikawa, Norihiko and Koshi, Mitsuo},
 issue = {28},
 journal = {The Journal of Physical Chemistry A},
 month = {May},
 note = {The reactions of NO2 with cis-/trans-CH3NHNH, CH3NNH2 and CH2NHNH2 have been studied theoretically by quantum chemical calculations and steady-state unimolecular master equation analysis based on RRKM theory. The barrier heights for the roaming transition states between nitro (RNO2) and nitrite (RONO) isomerization reactions and those for the concerted HONO and HNO2 elimination reactions from RNO2 and RONO, affect the pressure dependences of the product-specific rate coefficients. At ambient temperature and pressure, the dominant product of the reactions of NO2 with cis-/trans-CH3NHNH and CH2NHNH2 would be expected to be HONO with trans-CH3NNH and CH2NNH2, respectively, whereas it is CH3N(NH2)NO2 for CH3NNH2 + NO2. The product-specific rate coefficients for the titled and related reactions on the same potential energy surfaces were proposed for kinetics modeling., 形態: カラー図版あり, Physical characteristics: Original contains color illustrations, 資料番号: PA1610065000},
 pages = {7659--7667},
 title = {Computational Study of the Rate Coefficients for the Reactions of NO2 with CH3NHNH, CH3NNH2, and CH2NHNH2},
 volume = {119},
 year = {2015}
}