Theoretical Studies on the Isomerizations of CH3NO2
โ Scribed by Lijuan YANG; Xiaoyan LI; Yanli ZENG; Lingpeng MENG; Shijun ZHENG
- Publisher
- John Wiley and Sons
- Year
- 2009
- Tongue
- English
- Weight
- 364 KB
- Volume
- 27
- Category
- Article
- ISSN
- 0256-7660
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๐ SIMILAR VOLUMES
Intermediate neglect of differential overlap INDO calculations were used to study the structure of C CH . It was found that the CH group is mainly added to the C แC 70 2 2 I II ลฝ . C represents the first kind of carbon atom and so on or the C แC bond in C and I III III 70 a cyclopropane feature with
Pulse radiolysis was used to study the kinetics of the reactions of CH 3 C(O)CH 2 O 2 radicals with NO and NO 2 at By monitoring the rate of formation and decay of NO 2 295 K. using its absorption at the rate constants 400 and 450 nm k(CH C(O)CH O ฯฉ NO) ฯญ (8 ฯฎ 3 2 2 and were de-ฯช12 ฯช12 3 ฯช1 ฯช1 2) ฯซ
The structures, stabilities and the isomerization reactions of CH 3 SO 2 isomers in a doublet electronic state have been studied at B3LYP/6-311++G (d,p), MP2/6-311++G (d,p) and CCSD(T)/6-311++G (d,p) levels. The three different levels of calculation give the similar results: thirteen minimum isomers